2-(3-carbamoyl-2-chlorophenyl)acetic acid

C9H8ClNO3 — CID 71239300

IUPAC2-(3-carbamoyl-2-chlorophenyl)acetic acid
SMILESNC(=O)c1cccc(CC(=O)O)c1Cl
InChIInChI=1S/C9H8ClNO3/c10-8-5(4-7(12)13)2-1-3-6(8)9(11)14/h1-3H,4H2,(H2,11,14)(H,12,13)
InChIKeyKHRQOBUAYGTRKP-UHFFFAOYSA-N
MW213.62 g/mol
LogP1.07
Rot. Bonds3

About 2-(3-carbamoyl-2-chlorophenyl)acetic acid

2-(3-carbamoyl-2-chlorophenyl)acetic acid (PubChem CID 71239300) has the molecular formula C9H8ClNO3 and a molecular weight of 213.62 g/mol. Its IUPAC name is 2-(3-carbamoyl-2-chlorophenyl)acetic acid.

Molecular Properties

Compound Name2-(3-carbamoyl-2-chlorophenyl)acetic acid
PubChem CID71239300
Molecular FormulaC9H8ClNO3
Molecular Weight213.62 g/mol
Exact Mass213.02
IUPAC Name2-(3-carbamoyl-2-chlorophenyl)acetic acid
SMILESNC(=O)c1cccc(CC(=O)O)c1Cl
InChIInChI=1S/C9H8ClNO3/c10-8-5(4-7(12)13)2-1-3-6(8)9(11)14/h1-3H,4H2,(H2,11,14)(H,12,13)
InChIKeyKHRQOBUAYGTRKP-UHFFFAOYSA-N
XLogP1.07
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.62
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dichlorobenzamide;hydron
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2-chloro-3-sulfanylbenzamide
CID 118238415
2-[(2,3-dichloroanilino)methyl]benzamide
CID 28774931
2-[2-amino-3-(2-chlorobenzoyl)phenyl]acetic acid
CID 13408189
2-[2-[(2-carbamoylanilino)methyl]phenyl]acetic acid
CID 81313237
2-chloro-3-(trifluoromethyl)benzamide
CID 3861109
bis(3-benzyl-2-chlorophenyl)methanone
CID 141224767
2,3-diethylbenzamide;hydrofluoride
CID 175203586
3-(2-amino-2-oxoethyl)-2-hydroxybenzamide
CID 141352477
2,3-dichloro-4-ethylbenzamide
CID 67592769
1-(2-chlorophenyl)-2-(2,3-dichlorophenyl)ethanone
CID 107307846
2-[2-[(2,3-dichloroanilino)methyl]phenyl]acetic acid
CID 115461544

Frequently Asked Questions

What is the IUPAC name of 2-(3-carbamoyl-2-chlorophenyl)acetic acid?
The IUPAC name of 2-(3-carbamoyl-2-chlorophenyl)acetic acid (CID 71239300) is 2-(3-carbamoyl-2-chlorophenyl)acetic acid.
What is the SMILES notation for 2-(3-carbamoyl-2-chlorophenyl)acetic acid?
The canonical SMILES for 2-(3-carbamoyl-2-chlorophenyl)acetic acid is NC(=O)c1cccc(CC(=O)O)c1Cl.
What is the InChIKey of 2-(3-carbamoyl-2-chlorophenyl)acetic acid?
The InChIKey is KHRQOBUAYGTRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO3/c10-8-5(4-7(12)13)2-1-3-6(8)9(11)14/h1-3H,4H2,(H2,11,14)(H,12,13).
What are the key properties of 2-(3-carbamoyl-2-chlorophenyl)acetic acid?
2-(3-carbamoyl-2-chlorophenyl)acetic acid has a molecular weight of 213.62 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-carbamoyl-2-chlorophenyl)acetic acid is sourced from PubChem (CID 71239300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).