2-chloro-5-[[2-(cyclopentylamino)acetyl]amino]benzoic acid

C14H17ClN2O3 — CID 60851750

IUPAC2-chloro-5-[[2-(cyclopentylamino)acetyl]amino]benzoic acid
SMILESO=C(CNC1CCCC1)Nc1ccc(Cl)c(C(=O)O)c1
InChIInChI=1S/C14H17ClN2O3/c15-12-6-5-10(7-11(12)14(19)20)17-13(18)8-16-9-3-1-2-4-9/h5-7,9,16H,1-4,8H2,(H,17,18)(H,19,20)
InChIKeyGJASJWSXARMEJC-UHFFFAOYSA-N
MW296.75 g/mol
LogP2.51
Rot. Bonds5

About 2-chloro-5-[[2-(cyclopentylamino)acetyl]amino]benzoic acid

2-chloro-5-[[2-(cyclopentylamino)acetyl]amino]benzoic acid (PubChem CID 60851750) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is 2-chloro-5-[[2-(cyclopentylamino)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name2-chloro-5-[[2-(cyclopentylamino)acetyl]amino]benzoic acid
PubChem CID60851750
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Name2-chloro-5-[[2-(cyclopentylamino)acetyl]amino]benzoic acid
SMILESO=C(CNC1CCCC1)Nc1ccc(Cl)c(C(=O)O)c1
InChIInChI=1S/C14H17ClN2O3/c15-12-6-5-10(7-11(12)14(19)20)17-13(18)8-16-9-3-1-2-4-9/h5-7,9,16H,1-4,8H2,(H,17,18)(H,19,20)
InChIKeyGJASJWSXARMEJC-UHFFFAOYSA-N
XLogP2.51
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamido-3-chlorophenyl)-2-(cyclopentylamino)acetamide
CID 60720174
N-(4-chlorophenyl)-2-(cyclohexylamino)acetamide
CID 788648
5-[[2-(cyclopentylamino)acetyl]amino]-2,3-dimethylbenzoic acid
CID 63020173
N-(3-chloro-4-cyanophenyl)-2-(cyclooctylamino)acetamide
CID 9265066
2-chloro-5-(cyclohexylamino)benzoic acid
CID 43736277
N-(3-chlorophenyl)-2-(cycloheptylamino)acetamide
CID 43236492
2-(cyclopentylamino)-N-(4-hydroxyphenyl)acetamide
CID 54918004
2-(cyclooctylamino)-N-(3,4-difluorophenyl)acetamide
CID 9265327
2-chloro-5-(cycloheptanecarbonylamino)benzoic acid
CID 62587194
2-chloro-5-(cyclooctanecarbonylamino)benzoic acid
CID 65019289
2-chloro-5-[(cyclopentylamino)methyl]benzoic acid
CID 117221558
5-[(2-anilinoacetyl)amino]-2-chlorobenzoic acid
CID 60861944

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[2-(cyclopentylamino)acetyl]amino]benzoic acid?
The IUPAC name of 2-chloro-5-[[2-(cyclopentylamino)acetyl]amino]benzoic acid (CID 60851750) is 2-chloro-5-[[2-(cyclopentylamino)acetyl]amino]benzoic acid.
What is the SMILES notation for 2-chloro-5-[[2-(cyclopentylamino)acetyl]amino]benzoic acid?
The canonical SMILES for 2-chloro-5-[[2-(cyclopentylamino)acetyl]amino]benzoic acid is O=C(CNC1CCCC1)Nc1ccc(Cl)c(C(=O)O)c1.
What is the InChIKey of 2-chloro-5-[[2-(cyclopentylamino)acetyl]amino]benzoic acid?
The InChIKey is GJASJWSXARMEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c15-12-6-5-10(7-11(12)14(19)20)17-13(18)8-16-9-3-1-2-4-9/h5-7,9,16H,1-4,8H2,(H,17,18)(H,19,20).
What are the key properties of 2-chloro-5-[[2-(cyclopentylamino)acetyl]amino]benzoic acid?
2-chloro-5-[[2-(cyclopentylamino)acetyl]amino]benzoic acid has a molecular weight of 296.75 g/mol, XLogP of 2.51, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[2-(cyclopentylamino)acetyl]amino]benzoic acid is sourced from PubChem (CID 60851750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).