N-[2-amino-5-(4-fluoroanilino)-4-methyl-5-oxopentyl]-3,5-diethoxybenzamide

C23H30FN3O4 — CID 142843469

IUPACN-[2-amino-5-(4-fluoroanilino)-4-methyl-5-oxopentyl]-3,5-diethoxybenzamide
SMILESCCOc1cc(OCC)cc(C(=O)NCC(N)CC(C)C(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C23H30FN3O4/c1-4-30-20-11-16(12-21(13-20)31-5-2)23(29)26-14-18(25)10-15(3)22(28)27-19-8-6-17(24)7-9-19/h6-9,11-13,15,18H,4-5,10,14,25H2,1-3H3,(H,26,29)(H,27,28)
InChIKeyQVIXDMRGBYMMBI-UHFFFAOYSA-N
MW431.51 g/mol
LogP3.35
Rot. Bonds11

About N-[2-amino-5-(4-fluoroanilino)-4-methyl-5-oxopentyl]-3,5-diethoxybenzamide

N-[2-amino-5-(4-fluoroanilino)-4-methyl-5-oxopentyl]-3,5-diethoxybenzamide (PubChem CID 142843469) has the molecular formula C23H30FN3O4 and a molecular weight of 431.51 g/mol. Its IUPAC name is N-[2-amino-5-(4-fluoroanilino)-4-methyl-5-oxopentyl]-3,5-diethoxybenzamide.

Molecular Properties

Compound NameN-[2-amino-5-(4-fluoroanilino)-4-methyl-5-oxopentyl]-3,5-diethoxybenzamide
PubChem CID142843469
Molecular FormulaC23H30FN3O4
Molecular Weight431.51 g/mol
Exact Mass431.22
IUPAC NameN-[2-amino-5-(4-fluoroanilino)-4-methyl-5-oxopentyl]-3,5-diethoxybenzamide
SMILESCCOc1cc(OCC)cc(C(=O)NCC(N)CC(C)C(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C23H30FN3O4/c1-4-30-20-11-16(12-21(13-20)31-5-2)23(29)26-14-18(25)10-15(3)22(28)27-19-8-6-17(24)7-9-19/h6-9,11-13,15,18H,4-5,10,14,25H2,1-3H3,(H,26,29)(H,27,28)
InChIKeyQVIXDMRGBYMMBI-UHFFFAOYSA-N
XLogP3.35
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.51
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S,3S,5R)-3-amino-6-(4-fluoroanilino)-5-methyl-6-oxo-1-phenylhexan-2-yl]-3-ethoxy-5-propan-2-yloxybenzamide
CID 58738127
N-[2-amino-5-(4-fluoroanilino)-4-methyl-5-oxopentyl]-3-(2-oxoethyl)benzamide;1,2-difluoro-3-methylbenzene;N-methyl-N-propylpropan-1-amine
CID 142843714
(2S)-N-(4-fluorophenyl)-2-methylbutanamide
CID 838022
4-amino-N-(4-fluorophenyl)-2-methyl-5-[[(2R)-2-(1-oxo-5-propyl-1,2,5-thiadiazolidin-2-yl)propanoyl]amino]pentanamide
CID 142843613
[(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] (2R)-2-(4-fluorophenoxy)propanoate
CID 8935528
N-[(2S,3S,5R)-3-amino-6-(4-fluoroanilino)-5-methyl-6-oxo-1-phenylhexan-2-yl]-3-methoxy-5-pentan-3-yloxybenzamide
CID 58737832
4-ethoxy-N-[2-(4-fluoroanilino)-2-oxoethyl]benzamide
CID 9416291
N-[2-(4-ethoxyanilino)-2-oxoethyl]-4-fluorobenzamide
CID 2967136
N-(4-ethoxyphenyl)-3,5-difluorobenzamide
CID 8745463
ethyl 3-(4-fluoroanilino)-2-methyl-3-oxopropanoate
CID 67507786
(2R)-N-(4-ethoxyphenyl)-2-(4-fluorophenyl)sulfanylpropanamide
CID 8740652
ethyl 4-[[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]benzoate
CID 4805935

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-5-(4-fluoroanilino)-4-methyl-5-oxopentyl]-3,5-diethoxybenzamide?
The IUPAC name of N-[2-amino-5-(4-fluoroanilino)-4-methyl-5-oxopentyl]-3,5-diethoxybenzamide (CID 142843469) is N-[2-amino-5-(4-fluoroanilino)-4-methyl-5-oxopentyl]-3,5-diethoxybenzamide.
What is the SMILES notation for N-[2-amino-5-(4-fluoroanilino)-4-methyl-5-oxopentyl]-3,5-diethoxybenzamide?
The canonical SMILES for N-[2-amino-5-(4-fluoroanilino)-4-methyl-5-oxopentyl]-3,5-diethoxybenzamide is CCOc1cc(OCC)cc(C(=O)NCC(N)CC(C)C(=O)Nc2ccc(F)cc2)c1.
What is the InChIKey of N-[2-amino-5-(4-fluoroanilino)-4-methyl-5-oxopentyl]-3,5-diethoxybenzamide?
The InChIKey is QVIXDMRGBYMMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN3O4/c1-4-30-20-11-16(12-21(13-20)31-5-2)23(29)26-14-18(25)10-15(3)22(28)27-19-8-6-17(24)7-9-19/h6-9,11-13,15,18H,4-5,10,14,25H2,1-3H3,(H,26,29)(H,27,28).
What are the key properties of N-[2-amino-5-(4-fluoroanilino)-4-methyl-5-oxopentyl]-3,5-diethoxybenzamide?
N-[2-amino-5-(4-fluoroanilino)-4-methyl-5-oxopentyl]-3,5-diethoxybenzamide has a molecular weight of 431.51 g/mol, XLogP of 3.35, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-5-(4-fluoroanilino)-4-methyl-5-oxopentyl]-3,5-diethoxybenzamide is sourced from PubChem (CID 142843469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).