2-[[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]carbamoyl]cyclobutane-1-carboxylic acid

C20H19FN2O4 — CID 120974926

IUPAC2-[[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]carbamoyl]cyclobutane-1-carboxylic acid
SMILESO=C(NCc1ccccc1F)c1ccc(NC(=O)C2CCC2C(=O)O)cc1
InChIInChI=1S/C20H19FN2O4/c21-17-4-2-1-3-13(17)11-22-18(24)12-5-7-14(8-6-12)23-19(25)15-9-10-16(15)20(26)27/h1-8,15-16H,9-11H2,(H,22,24)(H,23,25)(H,26,27)
InChIKeyINUYZNFOHKZNCG-UHFFFAOYSA-N
MW370.38 g/mol
LogP2.81
Rot. Bonds6

About 2-[[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]carbamoyl]cyclobutane-1-carboxylic acid

2-[[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]carbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 120974926) has the molecular formula C20H19FN2O4 and a molecular weight of 370.38 g/mol. Its IUPAC name is 2-[[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]carbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]carbamoyl]cyclobutane-1-carboxylic acid
PubChem CID120974926
Molecular FormulaC20H19FN2O4
Molecular Weight370.38 g/mol
Exact Mass370.13
IUPAC Name2-[[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]carbamoyl]cyclobutane-1-carboxylic acid
SMILESO=C(NCc1ccccc1F)c1ccc(NC(=O)C2CCC2C(=O)O)cc1
InChIInChI=1S/C20H19FN2O4/c21-17-4-2-1-3-13(17)11-22-18(24)12-5-7-14(8-6-12)23-19(25)15-9-10-16(15)20(26)27/h1-8,15-16H,9-11H2,(H,22,24)(H,23,25)(H,26,27)
InChIKeyINUYZNFOHKZNCG-UHFFFAOYSA-N
XLogP2.81
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-2-[[4-(benzylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 7366556
4-[(3-aminocyclohexanecarbonyl)amino]-N-[(2-fluorophenyl)methyl]benzamide;hydrochloride
CID 119718400
N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]piperidine-2-carboxamide;hydrochloride
CID 119286603
1-N-[(2-fluorophenyl)methyl]-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109047183
(2R,3S)-N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-2-methylmorpholine-3-carboxamide
CID 120923570
4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-[(2-fluorophenyl)methyl]benzamide;hydrochloride
CID 120786959
2-[2-(2-fluorophenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974497
N-[(2-fluorophenyl)methyl]-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride
CID 119718420
4-N-(4-chlorophenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148389
4-[[2-(2-fluorophenoxy)acetyl]amino]-N-[(2-fluorophenyl)methyl]benzamide
CID 87005359
4-(cyclopropanecarbonylamino)-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 55983758
1-N-(3,4-dimethylphenyl)-2-N-[(2-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135936

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]carbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]carbamoyl]cyclobutane-1-carboxylic acid (CID 120974926) is 2-[[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]carbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]carbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]carbamoyl]cyclobutane-1-carboxylic acid is O=C(NCc1ccccc1F)c1ccc(NC(=O)C2CCC2C(=O)O)cc1.
What is the InChIKey of 2-[[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]carbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is INUYZNFOHKZNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O4/c21-17-4-2-1-3-13(17)11-22-18(24)12-5-7-14(8-6-12)23-19(25)15-9-10-16(15)20(26)27/h1-8,15-16H,9-11H2,(H,22,24)(H,23,25)(H,26,27).
What are the key properties of 2-[[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]carbamoyl]cyclobutane-1-carboxylic acid?
2-[[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]carbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 370.38 g/mol, XLogP of 2.81, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]carbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120974926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).