2-[(2-chlorophenyl)methyl-methylcarbamoyl]benzoic acid

C16H14ClNO3 — CID 43399794

IUPAC2-[(2-chlorophenyl)methyl-methylcarbamoyl]benzoic acid
SMILESCN(Cc1ccccc1Cl)C(=O)c1ccccc1C(=O)O
InChIInChI=1S/C16H14ClNO3/c1-18(10-11-6-2-5-9-14(11)17)15(19)12-7-3-4-8-13(12)16(20)21/h2-9H,10H2,1H3,(H,20,21)
InChIKeyCUFIKYOOOWZQSC-UHFFFAOYSA-N
MW303.75 g/mol
LogP3.31
Rot. Bonds4

About 2-[(2-chlorophenyl)methyl-methylcarbamoyl]benzoic acid

2-[(2-chlorophenyl)methyl-methylcarbamoyl]benzoic acid (PubChem CID 43399794) has the molecular formula C16H14ClNO3 and a molecular weight of 303.75 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-methylcarbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-methylcarbamoyl]benzoic acid
PubChem CID43399794
Molecular FormulaC16H14ClNO3
Molecular Weight303.75 g/mol
Exact Mass303.07
IUPAC Name2-[(2-chlorophenyl)methyl-methylcarbamoyl]benzoic acid
SMILESCN(Cc1ccccc1Cl)C(=O)c1ccccc1C(=O)O
InChIInChI=1S/C16H14ClNO3/c1-18(10-11-6-2-5-9-14(11)17)15(19)12-7-3-4-8-13(12)16(20)21/h2-9H,10H2,1H3,(H,20,21)
InChIKeyCUFIKYOOOWZQSC-UHFFFAOYSA-N
XLogP3.31
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[(2-chlorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 60628317
2-chloro-N-[(2-chlorophenyl)methyl]-5-hydroxy-N-methylbenzamide
CID 106501484
2-[(4-chlorophenyl)methyl-methylcarbamoyl]benzoic acid
CID 43399775
N-[(2-chlorophenyl)methyl]-N-methyl-2-propan-2-ylsulfonylbenzamide
CID 39914084
N-[(2-chlorophenyl)methyl]-N-methyl-2-(tetrazol-1-yl)benzamide
CID 78768535
1-[(2-chlorophenyl)methyl]-1-methylurea
CID 60703173
N-[(2-chlorophenyl)methyl]-5-fluoro-2-hydroxy-N-methylbenzamide
CID 79532591
N-[(2,3-dichlorophenyl)methyl]-2-iodo-N-methylbenzamide
CID 60628160
2-[methyl-[(4-methylphenyl)methyl]carbamoyl]benzoic acid
CID 28798661
5-bromo-2-chloro-N-[(2-chlorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 62000635
N-[(2-chlorophenyl)methyl]-N,2-dimethylpropanamide;ethane
CID 143072453
N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide
CID 60628158

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl-methylcarbamoyl]benzoic acid?
The IUPAC name of 2-[(2-chlorophenyl)methyl-methylcarbamoyl]benzoic acid (CID 43399794) is 2-[(2-chlorophenyl)methyl-methylcarbamoyl]benzoic acid.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-methylcarbamoyl]benzoic acid?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-methylcarbamoyl]benzoic acid is CN(Cc1ccccc1Cl)C(=O)c1ccccc1C(=O)O.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-methylcarbamoyl]benzoic acid?
The InChIKey is CUFIKYOOOWZQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO3/c1-18(10-11-6-2-5-9-14(11)17)15(19)12-7-3-4-8-13(12)16(20)21/h2-9H,10H2,1H3,(H,20,21).
What are the key properties of 2-[(2-chlorophenyl)methyl-methylcarbamoyl]benzoic acid?
2-[(2-chlorophenyl)methyl-methylcarbamoyl]benzoic acid has a molecular weight of 303.75 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl-methylcarbamoyl]benzoic acid is sourced from PubChem (CID 43399794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).