2-[2-[[(2-chlorophenyl)methoxycarbonylamino]methyl]phenyl]benzoic acid

C22H18ClNO4 — CID 23442970

IUPAC2-[2-[[(2-chlorophenyl)methoxycarbonylamino]methyl]phenyl]benzoic acid
SMILESO=C(NCc1ccccc1-c1ccccc1C(=O)O)OCc1ccccc1Cl
InChIInChI=1S/C22H18ClNO4/c23-20-12-6-2-8-16(20)14-28-22(27)24-13-15-7-1-3-9-17(15)18-10-4-5-11-19(18)21(25)26/h1-12H,13-14H2,(H,24,27)(H,25,26)
InChIKeyMVMYXMDQUXKNEK-UHFFFAOYSA-N
MW395.84 g/mol
LogP5.13
Rot. Bonds6

About 2-[2-[[(2-chlorophenyl)methoxycarbonylamino]methyl]phenyl]benzoic acid

2-[2-[[(2-chlorophenyl)methoxycarbonylamino]methyl]phenyl]benzoic acid (PubChem CID 23442970) has the molecular formula C22H18ClNO4 and a molecular weight of 395.84 g/mol. Its IUPAC name is 2-[2-[[(2-chlorophenyl)methoxycarbonylamino]methyl]phenyl]benzoic acid.

Molecular Properties

Compound Name2-[2-[[(2-chlorophenyl)methoxycarbonylamino]methyl]phenyl]benzoic acid
PubChem CID23442970
Molecular FormulaC22H18ClNO4
Molecular Weight395.84 g/mol
Exact Mass395.09
IUPAC Name2-[2-[[(2-chlorophenyl)methoxycarbonylamino]methyl]phenyl]benzoic acid
SMILESO=C(NCc1ccccc1-c1ccccc1C(=O)O)OCc1ccccc1Cl
InChIInChI=1S/C22H18ClNO4/c23-20-12-6-2-8-16(20)14-28-22(27)24-13-15-7-1-3-9-17(15)18-10-4-5-11-19(18)21(25)26/h1-12H,13-14H2,(H,24,27)(H,25,26)
InChIKeyMVMYXMDQUXKNEK-UHFFFAOYSA-N
XLogP5.13
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.84
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2-chlorophenyl)acetyl]amino]benzoic acid
CID 17296977
2-[2-[(butoxycarbonylamino)methyl]phenyl]benzoic acid;2-pyridin-2-ylethanamine
CID 172761323
2-[2-(2-chlorophenyl)ethyl]benzoic acid
CID 70516593
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-chlorobenzoate
CID 2624351
(2-chlorophenyl)methyl 2-anilinobenzoate
CID 5148106
(2-chlorophenyl)methyl 2-amino-3-chlorobenzoate
CID 115279797
benzyl N-[[2-[2-[ethyl(pyridin-4-ylmethyl)carbamoyl]phenyl]phenyl]methyl]carbamate
CID 22978531
(2-chlorophenyl)methyl 2-(methylamino)benzoate
CID 895057
(2,4-dichlorophenyl)methyl N-(2-chlorobenzoyl)carbamate
CID 2798263
(2-chlorophenyl)methyl 2-aminoacetate
CID 54593146
(4-fluorophenyl)methyl N-[[2-[2-[(2,4-difluorophenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate
CID 22978511
2-(2-carboxyphenyl)benzoic acid;cobalt
CID 159898458

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(2-chlorophenyl)methoxycarbonylamino]methyl]phenyl]benzoic acid?
The IUPAC name of 2-[2-[[(2-chlorophenyl)methoxycarbonylamino]methyl]phenyl]benzoic acid (CID 23442970) is 2-[2-[[(2-chlorophenyl)methoxycarbonylamino]methyl]phenyl]benzoic acid.
What is the SMILES notation for 2-[2-[[(2-chlorophenyl)methoxycarbonylamino]methyl]phenyl]benzoic acid?
The canonical SMILES for 2-[2-[[(2-chlorophenyl)methoxycarbonylamino]methyl]phenyl]benzoic acid is O=C(NCc1ccccc1-c1ccccc1C(=O)O)OCc1ccccc1Cl.
What is the InChIKey of 2-[2-[[(2-chlorophenyl)methoxycarbonylamino]methyl]phenyl]benzoic acid?
The InChIKey is MVMYXMDQUXKNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClNO4/c23-20-12-6-2-8-16(20)14-28-22(27)24-13-15-7-1-3-9-17(15)18-10-4-5-11-19(18)21(25)26/h1-12H,13-14H2,(H,24,27)(H,25,26).
What are the key properties of 2-[2-[[(2-chlorophenyl)methoxycarbonylamino]methyl]phenyl]benzoic acid?
2-[2-[[(2-chlorophenyl)methoxycarbonylamino]methyl]phenyl]benzoic acid has a molecular weight of 395.84 g/mol, XLogP of 5.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(2-chlorophenyl)methoxycarbonylamino]methyl]phenyl]benzoic acid is sourced from PubChem (CID 23442970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).