2-(4-carbamoyl-3-chloro-N-methylanilino)acetic acid

C10H11ClN2O3 — CID 62944660

IUPAC2-(4-carbamoyl-3-chloro-N-methylanilino)acetic acid
SMILESCN(CC(=O)O)c1ccc(C(N)=O)c(Cl)c1
InChIInChI=1S/C10H11ClN2O3/c1-13(5-9(14)15)6-2-3-7(10(12)16)8(11)4-6/h2-4H,5H2,1H3,(H2,12,16)(H,14,15)
InChIKeyAGRPOARFKVKXAC-UHFFFAOYSA-N
MW242.66 g/mol
LogP0.96
Rot. Bonds4

About 2-(4-carbamoyl-3-chloro-N-methylanilino)acetic acid

2-(4-carbamoyl-3-chloro-N-methylanilino)acetic acid (PubChem CID 62944660) has the molecular formula C10H11ClN2O3 and a molecular weight of 242.66 g/mol. Its IUPAC name is 2-(4-carbamoyl-3-chloro-N-methylanilino)acetic acid.

Molecular Properties

Compound Name2-(4-carbamoyl-3-chloro-N-methylanilino)acetic acid
PubChem CID62944660
Molecular FormulaC10H11ClN2O3
Molecular Weight242.66 g/mol
Exact Mass242.05
IUPAC Name2-(4-carbamoyl-3-chloro-N-methylanilino)acetic acid
SMILESCN(CC(=O)O)c1ccc(C(N)=O)c(Cl)c1
InChIInChI=1S/C10H11ClN2O3/c1-13(5-9(14)15)6-2-3-7(10(12)16)8(11)4-6/h2-4H,5H2,1H3,(H2,12,16)(H,14,15)
InChIKeyAGRPOARFKVKXAC-UHFFFAOYSA-N
XLogP0.96
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.66
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-carbamoyl-3-chloro-N-prop-2-enylanilino)acetic acid
CID 79263379
2-chloro-4-[methyl(2-methylpropyl)amino]benzenecarbothioamide
CID 62947113
2-chloro-4-[methyl(pyridin-4-ylmethyl)amino]benzoic acid
CID 62946231
2-(N-methyl-4-propan-2-ylanilino)acetic acid
CID 82113002
2-chloro-4-[methyl(3-methylbutyl)amino]benzenecarbothioamide
CID 62949131
2-chloro-4-[3-methoxypropyl(methyl)amino]benzoic acid
CID 63008083
2-chloro-4-[(4-fluorophenyl)methyl-methylamino]benzenecarbothioamide
CID 62948121
methyl 2-(4-carbamothioyl-3-chloro-N-(2-methoxy-2-oxoethyl)anilino)acetate
CID 62956800
2-chloro-4-[methyl-[(2-methylfuran-3-yl)methyl]amino]benzenecarbothioamide
CID 55154521
2-(4-carbamothioyl-3-chloro-N-propylanilino)-N,N-dimethylacetamide
CID 62948300
4-[1-(3-aminophenyl)ethyl-methylamino]-2-chlorobenzamide
CID 62944562
2-chloro-4-[[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-methylamino]benzamide
CID 59946023

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbamoyl-3-chloro-N-methylanilino)acetic acid?
The IUPAC name of 2-(4-carbamoyl-3-chloro-N-methylanilino)acetic acid (CID 62944660) is 2-(4-carbamoyl-3-chloro-N-methylanilino)acetic acid.
What is the SMILES notation for 2-(4-carbamoyl-3-chloro-N-methylanilino)acetic acid?
The canonical SMILES for 2-(4-carbamoyl-3-chloro-N-methylanilino)acetic acid is CN(CC(=O)O)c1ccc(C(N)=O)c(Cl)c1.
What is the InChIKey of 2-(4-carbamoyl-3-chloro-N-methylanilino)acetic acid?
The InChIKey is AGRPOARFKVKXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O3/c1-13(5-9(14)15)6-2-3-7(10(12)16)8(11)4-6/h2-4H,5H2,1H3,(H2,12,16)(H,14,15).
What are the key properties of 2-(4-carbamoyl-3-chloro-N-methylanilino)acetic acid?
2-(4-carbamoyl-3-chloro-N-methylanilino)acetic acid has a molecular weight of 242.66 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbamoyl-3-chloro-N-methylanilino)acetic acid is sourced from PubChem (CID 62944660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).