2-fluoro-N-[[[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]amino]methyl]-3-(3-methoxyphenyl)benzamide

C24H30FN3O5 — CID 154505330

IUPAC2-fluoro-N-[[[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]amino]methyl]-3-(3-methoxyphenyl)benzamide
SMILESCCCCC[C@H](CN(O)C=O)C(=O)NCNC(=O)c1cccc(-c2cccc(OC)c2)c1F
InChIInChI=1S/C24H30FN3O5/c1-3-4-5-8-18(14-28(32)16-29)23(30)26-15-27-24(31)21-12-7-11-20(22(21)25)17-9-6-10-19(13-17)33-2/h6-7,9-13,16,18,32H,3-5,8,14-15H2,1-2H3,(H,26,30)(H,27,31)/t18-/m1/s1
InChIKeyDLGBOWKOIPAXPY-GOSISDBHSA-N
MW459.52 g/mol
LogP3.35
Rot. Bonds13

About 2-fluoro-N-[[[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]amino]methyl]-3-(3-methoxyphenyl)benzamide

2-fluoro-N-[[[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]amino]methyl]-3-(3-methoxyphenyl)benzamide (PubChem CID 154505330) has the molecular formula C24H30FN3O5 and a molecular weight of 459.52 g/mol. Its IUPAC name is 2-fluoro-N-[[[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]amino]methyl]-3-(3-methoxyphenyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-[[[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]amino]methyl]-3-(3-methoxyphenyl)benzamide
PubChem CID154505330
Molecular FormulaC24H30FN3O5
Molecular Weight459.52 g/mol
Exact Mass459.22
IUPAC Name2-fluoro-N-[[[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]amino]methyl]-3-(3-methoxyphenyl)benzamide
SMILESCCCCC[C@H](CN(O)C=O)C(=O)NCNC(=O)c1cccc(-c2cccc(OC)c2)c1F
InChIInChI=1S/C24H30FN3O5/c1-3-4-5-8-18(14-28(32)16-29)23(30)26-15-27-24(31)21-12-7-11-20(22(21)25)17-9-6-10-19(13-17)33-2/h6-7,9-13,16,18,32H,3-5,8,14-15H2,1-2H3,(H,26,30)(H,27,31)/t18-/m1/s1
InChIKeyDLGBOWKOIPAXPY-GOSISDBHSA-N
XLogP3.35
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.52
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]amino]methyl]-5-(3-propan-2-yloxyphenyl)furan-2-carboxamide
CID 118226212
3-(3,6-dimethoxypyridazin-4-yl)-N-[[2-[[formyl(hydroxy)amino]methyl]heptanoylamino]methyl]benzamide
CID 145227804
5-(3-ethylphenyl)-N-[[2-[[formyl(hydroxy)amino]methyl]heptanoylamino]methyl]furan-2-carboxamide
CID 144883941
N-[[[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]amino]methyl]-5-[3-(phosphorosooxymethyl)phenyl]furan-2-carboxamide
CID 122699015
5-[5-[[[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]amino]methylcarbamoyl]furan-2-yl]-2-methoxybenzoic acid
CID 118226239
2-[3-[5-[[2-[[formyl(hydroxy)amino]methyl]heptanoylamino]methylcarbamoyl]furan-2-yl]phenyl]propanoic acid
CID 118225719
N-[[[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]amino]methyl]-5-(6-methoxy-2-pyridinyl)furan-2-carboxamide
CID 118225857
5-[3-(4-aminobutanoyl)-5-ethoxyphenyl]-N-[[[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]amino]methyl]furan-2-carboxamide
CID 159180945
N-[[[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]amino]methyl]-5-(1-methylindazol-6-yl)furan-2-carboxamide
CID 118225800
N-hydroxy-N-[(2S)-2-[[(4-methoxyphenyl)methylamino]carbamoyl]heptyl]formamide
CID 87264455
N-[[[(2R)-2-[[formyl(phenylmethoxy)amino]methyl]heptanoyl]amino]methyl]-5-[3-(2,2,2-trifluoroethoxy)phenyl]furan-2-carboxamide
CID 118230978
1-benzofuran-2-yl N-[[[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]amino]methyl]carbamate
CID 88849206

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[[[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]amino]methyl]-3-(3-methoxyphenyl)benzamide?
The IUPAC name of 2-fluoro-N-[[[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]amino]methyl]-3-(3-methoxyphenyl)benzamide (CID 154505330) is 2-fluoro-N-[[[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]amino]methyl]-3-(3-methoxyphenyl)benzamide.
What is the SMILES notation for 2-fluoro-N-[[[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]amino]methyl]-3-(3-methoxyphenyl)benzamide?
The canonical SMILES for 2-fluoro-N-[[[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]amino]methyl]-3-(3-methoxyphenyl)benzamide is CCCCC[C@H](CN(O)C=O)C(=O)NCNC(=O)c1cccc(-c2cccc(OC)c2)c1F.
What is the InChIKey of 2-fluoro-N-[[[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]amino]methyl]-3-(3-methoxyphenyl)benzamide?
The InChIKey is DLGBOWKOIPAXPY-GOSISDBHSA-N. The full InChI is InChI=1S/C24H30FN3O5/c1-3-4-5-8-18(14-28(32)16-29)23(30)26-15-27-24(31)21-12-7-11-20(22(21)25)17-9-6-10-19(13-17)33-2/h6-7,9-13,16,18,32H,3-5,8,14-15H2,1-2H3,(H,26,30)(H,27,31)/t18-/m1/s1.
What are the key properties of 2-fluoro-N-[[[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]amino]methyl]-3-(3-methoxyphenyl)benzamide?
2-fluoro-N-[[[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]amino]methyl]-3-(3-methoxyphenyl)benzamide has a molecular weight of 459.52 g/mol, XLogP of 3.35, 13 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[[[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]amino]methyl]-3-(3-methoxyphenyl)benzamide is sourced from PubChem (CID 154505330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).