2-[[(3-chlorophenyl)-phenylmethyl]carbamoyl]cyclobutane-1-carboxylic acid

C19H18ClNO3 — CID 120975283

IUPAC2-[[(3-chlorophenyl)-phenylmethyl]carbamoyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1C(=O)NC(c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C19H18ClNO3/c20-14-8-4-7-13(11-14)17(12-5-2-1-3-6-12)21-18(22)15-9-10-16(15)19(23)24/h1-8,11,15-17H,9-10H2,(H,21,22)(H,23,24)
InChIKeyUEGUSYLMWSTMGO-UHFFFAOYSA-N
MW343.81 g/mol
LogP3.66
Rot. Bonds5

About 2-[[(3-chlorophenyl)-phenylmethyl]carbamoyl]cyclobutane-1-carboxylic acid

2-[[(3-chlorophenyl)-phenylmethyl]carbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 120975283) has the molecular formula C19H18ClNO3 and a molecular weight of 343.81 g/mol. Its IUPAC name is 2-[[(3-chlorophenyl)-phenylmethyl]carbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[(3-chlorophenyl)-phenylmethyl]carbamoyl]cyclobutane-1-carboxylic acid
PubChem CID120975283
Molecular FormulaC19H18ClNO3
Molecular Weight343.81 g/mol
Exact Mass343.10
IUPAC Name2-[[(3-chlorophenyl)-phenylmethyl]carbamoyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1C(=O)NC(c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C19H18ClNO3/c20-14-8-4-7-13(11-14)17(12-5-2-1-3-6-12)21-18(22)15-9-10-16(15)19(23)24/h1-8,11,15-17H,9-10H2,(H,21,22)(H,23,24)
InChIKeyUEGUSYLMWSTMGO-UHFFFAOYSA-N
XLogP3.66
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(4-chlorophenyl)-phenylmethyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120975095
(2S,4S)-N-[(3-chlorophenyl)-phenylmethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120623965
(2S,4S)-N-[(3-chlorophenyl)-phenylmethyl]-2-methylpiperidine-4-carboxamide
CID 120623966
(3S)-N-[(S)-(3-chlorophenyl)-phenylmethyl]pyrrolidine-3-carboxamide
CID 129415304
3-amino-N-[(3-chlorophenyl)-phenylmethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119736446
cis-(1R,2S)-N-benzhydryl-2-methylcyclopropane-1-carboxamide
CID 2547181
2-[[(4-ethoxyphenyl)-phenylmethyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120975218
(1R,6R)-6-(benzhydrylcarbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 1139576
3-[1-(3-chlorophenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103549956
1-(N'-chlorocarbamimidoyl)-3-[(3-chlorophenyl)-phenylmethyl]urea
CID 139913480
2-[2-(3-chlorophenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974491
N-[(3-chlorophenyl)-phenylmethyl]-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide
CID 55804404

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-chlorophenyl)-phenylmethyl]carbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[[(3-chlorophenyl)-phenylmethyl]carbamoyl]cyclobutane-1-carboxylic acid (CID 120975283) is 2-[[(3-chlorophenyl)-phenylmethyl]carbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[[(3-chlorophenyl)-phenylmethyl]carbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[[(3-chlorophenyl)-phenylmethyl]carbamoyl]cyclobutane-1-carboxylic acid is O=C(O)C1CCC1C(=O)NC(c1ccccc1)c1cccc(Cl)c1.
What is the InChIKey of 2-[[(3-chlorophenyl)-phenylmethyl]carbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is UEGUSYLMWSTMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO3/c20-14-8-4-7-13(11-14)17(12-5-2-1-3-6-12)21-18(22)15-9-10-16(15)19(23)24/h1-8,11,15-17H,9-10H2,(H,21,22)(H,23,24).
What are the key properties of 2-[[(3-chlorophenyl)-phenylmethyl]carbamoyl]cyclobutane-1-carboxylic acid?
2-[[(3-chlorophenyl)-phenylmethyl]carbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 343.81 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-chlorophenyl)-phenylmethyl]carbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120975283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).