1-[(3-fluoro-4-methoxybenzoyl)amino]cycloheptane-1-carboxylic acid

C16H20FNO4 — CID 120538673

IUPAC1-[(3-fluoro-4-methoxybenzoyl)amino]cycloheptane-1-carboxylic acid
SMILESCOc1ccc(C(=O)NC2(C(=O)O)CCCCCC2)cc1F
InChIInChI=1S/C16H20FNO4/c1-22-13-7-6-11(10-12(13)17)14(19)18-16(15(20)21)8-4-2-3-5-9-16/h6-7,10H,2-5,8-9H2,1H3,(H,18,19)(H,20,21)
InChIKeyGPHCZMYHDNWFPT-UHFFFAOYSA-N
MW309.34 g/mol
LogP2.74
Rot. Bonds4

About 1-[(3-fluoro-4-methoxybenzoyl)amino]cycloheptane-1-carboxylic acid

1-[(3-fluoro-4-methoxybenzoyl)amino]cycloheptane-1-carboxylic acid (PubChem CID 120538673) has the molecular formula C16H20FNO4 and a molecular weight of 309.34 g/mol. Its IUPAC name is 1-[(3-fluoro-4-methoxybenzoyl)amino]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3-fluoro-4-methoxybenzoyl)amino]cycloheptane-1-carboxylic acid
PubChem CID120538673
Molecular FormulaC16H20FNO4
Molecular Weight309.34 g/mol
Exact Mass309.14
IUPAC Name1-[(3-fluoro-4-methoxybenzoyl)amino]cycloheptane-1-carboxylic acid
SMILESCOc1ccc(C(=O)NC2(C(=O)O)CCCCCC2)cc1F
InChIInChI=1S/C16H20FNO4/c1-22-13-7-6-11(10-12(13)17)14(19)18-16(15(20)21)8-4-2-3-5-9-16/h6-7,10H,2-5,8-9H2,1H3,(H,18,19)(H,20,21)
InChIKeyGPHCZMYHDNWFPT-UHFFFAOYSA-N
XLogP2.74
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-fluoro-4-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43351057
4-[(3-fluoro-4-methoxybenzoyl)amino]oxane-4-carboxylic acid
CID 115291543
N-[1-(chloromethyl)cyclohexyl]-3-fluoro-4-methoxybenzamide
CID 114303483
2-[1-[(3-fluoro-4-methoxybenzoyl)amino]cyclopentyl]acetic acid
CID 64672188
1-[[3-(3-chloro-2,6-difluoro-4-methoxyphenyl)-4-methoxybenzoyl]amino]cyclohexane-1-carboxylic acid
CID 89094316
1-[(2-fluoro-6-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 65433406
1-[(3-methoxy-4-methylbenzoyl)amino]cyclobutane-1-carboxylic acid
CID 81158397
1-[[4-methoxy-3-(tetrazol-1-yl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120515028
1-[[2-(5-fluoro-2-methoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 120666403
1-[(4-methoxy-3-nitrobenzoyl)amino]cyclobutane-1-carboxylic acid
CID 81163964
2-[1-[[(3-fluoro-4-methoxybenzoyl)amino]methyl]cyclobutyl]acetic acid
CID 81164326
1-[(3-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43151448

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-4-methoxybenzoyl)amino]cycloheptane-1-carboxylic acid?
The IUPAC name of 1-[(3-fluoro-4-methoxybenzoyl)amino]cycloheptane-1-carboxylic acid (CID 120538673) is 1-[(3-fluoro-4-methoxybenzoyl)amino]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-[(3-fluoro-4-methoxybenzoyl)amino]cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-[(3-fluoro-4-methoxybenzoyl)amino]cycloheptane-1-carboxylic acid is COc1ccc(C(=O)NC2(C(=O)O)CCCCCC2)cc1F.
What is the InChIKey of 1-[(3-fluoro-4-methoxybenzoyl)amino]cycloheptane-1-carboxylic acid?
The InChIKey is GPHCZMYHDNWFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO4/c1-22-13-7-6-11(10-12(13)17)14(19)18-16(15(20)21)8-4-2-3-5-9-16/h6-7,10H,2-5,8-9H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 1-[(3-fluoro-4-methoxybenzoyl)amino]cycloheptane-1-carboxylic acid?
1-[(3-fluoro-4-methoxybenzoyl)amino]cycloheptane-1-carboxylic acid has a molecular weight of 309.34 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluoro-4-methoxybenzoyl)amino]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 120538673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).