1-[(5-chloro-2-phenylphenyl)carbamoylamino]cyclobutane-1-carboxylic acid

C18H17ClN2O3 — CID 86270935

IUPAC1-[(5-chloro-2-phenylphenyl)carbamoylamino]cyclobutane-1-carboxylic acid
SMILESO=C(Nc1cc(Cl)ccc1-c1ccccc1)NC1(C(=O)O)CCC1
InChIInChI=1S/C18H17ClN2O3/c19-13-7-8-14(12-5-2-1-3-6-12)15(11-13)20-17(24)21-18(16(22)23)9-4-10-18/h1-3,5-8,11H,4,9-10H2,(H,22,23)(H2,20,21,24)
InChIKeyKCEPWWJSNUOSFO-UHFFFAOYSA-N
MW344.80 g/mol
LogP4.14
Rot. Bonds4

About 1-[(5-chloro-2-phenylphenyl)carbamoylamino]cyclobutane-1-carboxylic acid

1-[(5-chloro-2-phenylphenyl)carbamoylamino]cyclobutane-1-carboxylic acid (PubChem CID 86270935) has the molecular formula C18H17ClN2O3 and a molecular weight of 344.80 g/mol. Its IUPAC name is 1-[(5-chloro-2-phenylphenyl)carbamoylamino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(5-chloro-2-phenylphenyl)carbamoylamino]cyclobutane-1-carboxylic acid
PubChem CID86270935
Molecular FormulaC18H17ClN2O3
Molecular Weight344.80 g/mol
Exact Mass344.09
IUPAC Name1-[(5-chloro-2-phenylphenyl)carbamoylamino]cyclobutane-1-carboxylic acid
SMILESO=C(Nc1cc(Cl)ccc1-c1ccccc1)NC1(C(=O)O)CCC1
InChIInChI=1S/C18H17ClN2O3/c19-13-7-8-14(12-5-2-1-3-6-12)15(11-13)20-17(24)21-18(16(22)23)9-4-10-18/h1-3,5-8,11H,4,9-10H2,(H,22,23)(H2,20,21,24)
InChIKeyKCEPWWJSNUOSFO-UHFFFAOYSA-N
XLogP4.14
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-phenylphenyl)carbamoylamino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(5-chloro-2-phenylphenyl)carbamoylamino]cyclobutane-1-carboxylic acid (CID 86270935) is 1-[(5-chloro-2-phenylphenyl)carbamoylamino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(5-chloro-2-phenylphenyl)carbamoylamino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(5-chloro-2-phenylphenyl)carbamoylamino]cyclobutane-1-carboxylic acid is O=C(Nc1cc(Cl)ccc1-c1ccccc1)NC1(C(=O)O)CCC1.
What is the InChIKey of 1-[(5-chloro-2-phenylphenyl)carbamoylamino]cyclobutane-1-carboxylic acid?
The InChIKey is KCEPWWJSNUOSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3/c19-13-7-8-14(12-5-2-1-3-6-12)15(11-13)20-17(24)21-18(16(22)23)9-4-10-18/h1-3,5-8,11H,4,9-10H2,(H,22,23)(H2,20,21,24).
What are the key properties of 1-[(5-chloro-2-phenylphenyl)carbamoylamino]cyclobutane-1-carboxylic acid?
1-[(5-chloro-2-phenylphenyl)carbamoylamino]cyclobutane-1-carboxylic acid has a molecular weight of 344.80 g/mol, XLogP of 4.14, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-phenylphenyl)carbamoylamino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 86270935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).