N-[5-(4-aminopentanoylamino)-2-methoxyphenyl]-3-fluorobenzamide

C19H22FN3O3 — CID 120559883

IUPACN-[5-(4-aminopentanoylamino)-2-methoxyphenyl]-3-fluorobenzamide
SMILESCOc1ccc(NC(=O)CCC(C)N)cc1NC(=O)c1cccc(F)c1
InChIInChI=1S/C19H22FN3O3/c1-12(21)6-9-18(24)22-15-7-8-17(26-2)16(11-15)23-19(25)13-4-3-5-14(20)10-13/h3-5,7-8,10-12H,6,9,21H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyYKBZUBFYGANFKZ-UHFFFAOYSA-N
MW359.40 g/mol
LogP3.15
Rot. Bonds7

About N-[5-(4-aminopentanoylamino)-2-methoxyphenyl]-3-fluorobenzamide

N-[5-(4-aminopentanoylamino)-2-methoxyphenyl]-3-fluorobenzamide (PubChem CID 120559883) has the molecular formula C19H22FN3O3 and a molecular weight of 359.40 g/mol. Its IUPAC name is N-[5-(4-aminopentanoylamino)-2-methoxyphenyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[5-(4-aminopentanoylamino)-2-methoxyphenyl]-3-fluorobenzamide
PubChem CID120559883
Molecular FormulaC19H22FN3O3
Molecular Weight359.40 g/mol
Exact Mass359.16
IUPAC NameN-[5-(4-aminopentanoylamino)-2-methoxyphenyl]-3-fluorobenzamide
SMILESCOc1ccc(NC(=O)CCC(C)N)cc1NC(=O)c1cccc(F)c1
InChIInChI=1S/C19H22FN3O3/c1-12(21)6-9-18(24)22-15-7-8-17(26-2)16(11-15)23-19(25)13-4-3-5-14(20)10-13/h3-5,7-8,10-12H,6,9,21H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyYKBZUBFYGANFKZ-UHFFFAOYSA-N
XLogP3.15
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[5-[[2-(3-fluorophenyl)acetyl]amino]-2-methoxyphenyl]benzamide
CID 55725735
3-fluoro-N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)propanoylamino]phenyl]benzamide
CID 46487241
N-[5-[3-(3-chloro-4-methoxyphenyl)propanoylamino]-2-methoxyphenyl]-3-fluorobenzamide
CID 55725477
3-fluoro-N-[2-methoxy-5-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]benzamide
CID 119709950
N-[5-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]-2-methoxyphenyl]-3-fluorobenzamide
CID 55725621
2-fluoro-N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]benzamide
CID 46487214
3-fluoro-N-[2-methoxy-5-[[1-oxo-1-(prop-2-ynylamino)propan-2-yl]amino]phenyl]benzamide
CID 47065290
N-(3-amino-4-methoxyphenyl)-3-fluorobenzamide
CID 28866814
3-[(3-fluorobenzoyl)amino]-4-methoxybenzoic acid
CID 28667508
3-fluoro-N-[2-methoxy-5-[[1-oxo-1-(2-propan-2-ylanilino)propan-2-yl]amino]phenyl]benzamide
CID 60542555
3-fluoro-N-[2-methoxy-5-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]phenyl]benzamide
CID 55725734
3-fluoro-N-[2-methoxy-5-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]phenyl]benzamide
CID 46477710

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-aminopentanoylamino)-2-methoxyphenyl]-3-fluorobenzamide?
The IUPAC name of N-[5-(4-aminopentanoylamino)-2-methoxyphenyl]-3-fluorobenzamide (CID 120559883) is N-[5-(4-aminopentanoylamino)-2-methoxyphenyl]-3-fluorobenzamide.
What is the SMILES notation for N-[5-(4-aminopentanoylamino)-2-methoxyphenyl]-3-fluorobenzamide?
The canonical SMILES for N-[5-(4-aminopentanoylamino)-2-methoxyphenyl]-3-fluorobenzamide is COc1ccc(NC(=O)CCC(C)N)cc1NC(=O)c1cccc(F)c1.
What is the InChIKey of N-[5-(4-aminopentanoylamino)-2-methoxyphenyl]-3-fluorobenzamide?
The InChIKey is YKBZUBFYGANFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3/c1-12(21)6-9-18(24)22-15-7-8-17(26-2)16(11-15)23-19(25)13-4-3-5-14(20)10-13/h3-5,7-8,10-12H,6,9,21H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-[5-(4-aminopentanoylamino)-2-methoxyphenyl]-3-fluorobenzamide?
N-[5-(4-aminopentanoylamino)-2-methoxyphenyl]-3-fluorobenzamide has a molecular weight of 359.40 g/mol, XLogP of 3.15, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-aminopentanoylamino)-2-methoxyphenyl]-3-fluorobenzamide is sourced from PubChem (CID 120559883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).