2-chloro-5-(cycloheptanecarbonylamino)benzoic acid

C15H18ClNO3 — CID 62587194

IUPAC2-chloro-5-(cycloheptanecarbonylamino)benzoic acid
SMILESO=C(O)c1cc(NC(=O)C2CCCCCC2)ccc1Cl
InChIInChI=1S/C15H18ClNO3/c16-13-8-7-11(9-12(13)15(19)20)17-14(18)10-5-3-1-2-4-6-10/h7-10H,1-6H2,(H,17,18)(H,19,20)
InChIKeyRKZYVFXHQRGHJT-UHFFFAOYSA-N
MW295.77 g/mol
LogP3.95
Rot. Bonds3

About 2-chloro-5-(cycloheptanecarbonylamino)benzoic acid

2-chloro-5-(cycloheptanecarbonylamino)benzoic acid (PubChem CID 62587194) has the molecular formula C15H18ClNO3 and a molecular weight of 295.77 g/mol. Its IUPAC name is 2-chloro-5-(cycloheptanecarbonylamino)benzoic acid.

Molecular Properties

Compound Name2-chloro-5-(cycloheptanecarbonylamino)benzoic acid
PubChem CID62587194
Molecular FormulaC15H18ClNO3
Molecular Weight295.77 g/mol
Exact Mass295.10
IUPAC Name2-chloro-5-(cycloheptanecarbonylamino)benzoic acid
SMILESO=C(O)c1cc(NC(=O)C2CCCCCC2)ccc1Cl
InChIInChI=1S/C15H18ClNO3/c16-13-8-7-11(9-12(13)15(19)20)17-14(18)10-5-3-1-2-4-6-10/h7-10H,1-6H2,(H,17,18)(H,19,20)
InChIKeyRKZYVFXHQRGHJT-UHFFFAOYSA-N
XLogP3.95
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 65019289
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N-(3-acetamido-4-chlorophenyl)cyclohexanecarboxamide
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2-bromo-5-(cyclobutanecarbonylamino)benzoic acid
CID 115295680
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2-chloro-5-(cyclohexylamino)benzoic acid
CID 43736277
N-(3-chloro-4-fluorophenyl)cyclopentanecarboxamide
CID 845055
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
5-[[(1R,2S)-2-carboxycyclopropanecarbonyl]amino]-2-chlorobenzoic acid
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2-chloro-5-[2-[4-(cyclopropanecarbonylamino)phenyl]sulfanylpropanoylamino]benzoic acid
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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(cycloheptanecarbonylamino)benzoic acid?
The IUPAC name of 2-chloro-5-(cycloheptanecarbonylamino)benzoic acid (CID 62587194) is 2-chloro-5-(cycloheptanecarbonylamino)benzoic acid.
What is the SMILES notation for 2-chloro-5-(cycloheptanecarbonylamino)benzoic acid?
The canonical SMILES for 2-chloro-5-(cycloheptanecarbonylamino)benzoic acid is O=C(O)c1cc(NC(=O)C2CCCCCC2)ccc1Cl.
What is the InChIKey of 2-chloro-5-(cycloheptanecarbonylamino)benzoic acid?
The InChIKey is RKZYVFXHQRGHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO3/c16-13-8-7-11(9-12(13)15(19)20)17-14(18)10-5-3-1-2-4-6-10/h7-10H,1-6H2,(H,17,18)(H,19,20).
What are the key properties of 2-chloro-5-(cycloheptanecarbonylamino)benzoic acid?
2-chloro-5-(cycloheptanecarbonylamino)benzoic acid has a molecular weight of 295.77 g/mol, XLogP of 3.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(cycloheptanecarbonylamino)benzoic acid is sourced from PubChem (CID 62587194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).