2-(cycloheptanecarbonylamino)benzoic acid

C15H19NO3 — CID 55091870

IUPAC2-(cycloheptanecarbonylamino)benzoic acid
SMILESO=C(O)c1ccccc1NC(=O)C1CCCCCC1
InChIInChI=1S/C15H19NO3/c17-14(11-7-3-1-2-4-8-11)16-13-10-6-5-9-12(13)15(18)19/h5-6,9-11H,1-4,7-8H2,(H,16,17)(H,18,19)
InChIKeyDYALRHJSCSLIDE-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.29
Rot. Bonds3

About 2-(cycloheptanecarbonylamino)benzoic acid

2-(cycloheptanecarbonylamino)benzoic acid (PubChem CID 55091870) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-(cycloheptanecarbonylamino)benzoic acid.

Molecular Properties

Compound Name2-(cycloheptanecarbonylamino)benzoic acid
PubChem CID55091870
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2-(cycloheptanecarbonylamino)benzoic acid
SMILESO=C(O)c1ccccc1NC(=O)C1CCCCCC1
InChIInChI=1S/C15H19NO3/c17-14(11-7-3-1-2-4-8-11)16-13-10-6-5-9-12(13)15(18)19/h5-6,9-11H,1-4,7-8H2,(H,16,17)(H,18,19)
InChIKeyDYALRHJSCSLIDE-UHFFFAOYSA-N
XLogP3.29
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(cyclopentanecarbonylamino)phenyl]cyclopentanecarboxamide
CID 837694
N-(2-carbamothioylphenyl)cyclopentanecarboxamide
CID 24703566
N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]cyclohexanecarboxamide
CID 2988050
2-(cyclopentanecarbonylamino)-N,N-dimethylbenzamide
CID 39233266
2-(cyclobutanecarbonylamino)-N-phenylbenzamide
CID 17426180
N-[2-(4-methylpiperidine-1-carbonyl)phenyl]cyclohexanecarboxamide
CID 4939416
N-[2-(4-methylpiperazine-1-carbonyl)phenyl]cyclohexanecarboxamide
CID 4943642
4-amino-2-(cyclooctanecarbonylamino)benzoic acid
CID 65019508
2-(cycloheptanecarbonylamino)-4-fluorobenzoic acid
CID 62585770
5-amino-2-(cycloheptanecarbonylamino)benzoic acid
CID 63116326
5-bromo-2-(cycloheptanecarbonylamino)benzoic acid
CID 63405295
2-[[2,2,2-trichloro-1-(cyclohexanecarbonylamino)ethyl]carbamothioylamino]benzoic acid
CID 10138942

Frequently Asked Questions

What is the IUPAC name of 2-(cycloheptanecarbonylamino)benzoic acid?
The IUPAC name of 2-(cycloheptanecarbonylamino)benzoic acid (CID 55091870) is 2-(cycloheptanecarbonylamino)benzoic acid.
What is the SMILES notation for 2-(cycloheptanecarbonylamino)benzoic acid?
The canonical SMILES for 2-(cycloheptanecarbonylamino)benzoic acid is O=C(O)c1ccccc1NC(=O)C1CCCCCC1.
What is the InChIKey of 2-(cycloheptanecarbonylamino)benzoic acid?
The InChIKey is DYALRHJSCSLIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c17-14(11-7-3-1-2-4-8-11)16-13-10-6-5-9-12(13)15(18)19/h5-6,9-11H,1-4,7-8H2,(H,16,17)(H,18,19).
What are the key properties of 2-(cycloheptanecarbonylamino)benzoic acid?
2-(cycloheptanecarbonylamino)benzoic acid has a molecular weight of 261.32 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cycloheptanecarbonylamino)benzoic acid is sourced from PubChem (CID 55091870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).