2-[3-[[3-(3-chlorophenyl)cyclobutyl]carbamoyl]phenyl]acetic acid

C19H18ClNO3 — CID 146130635

IUPAC2-[3-[[3-(3-chlorophenyl)cyclobutyl]carbamoyl]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(C(=O)NC2CC(c3cccc(Cl)c3)C2)c1
InChIInChI=1S/C19H18ClNO3/c20-16-6-2-4-13(9-16)15-10-17(11-15)21-19(24)14-5-1-3-12(7-14)8-18(22)23/h1-7,9,15,17H,8,10-11H2,(H,21,24)(H,22,23)
InChIKeyMHCOGAXCDCRARD-UHFFFAOYSA-N
MW343.81 g/mol
LogP3.64
Rot. Bonds5

About 2-[3-[[3-(3-chlorophenyl)cyclobutyl]carbamoyl]phenyl]acetic acid

2-[3-[[3-(3-chlorophenyl)cyclobutyl]carbamoyl]phenyl]acetic acid (PubChem CID 146130635) has the molecular formula C19H18ClNO3 and a molecular weight of 343.81 g/mol. Its IUPAC name is 2-[3-[[3-(3-chlorophenyl)cyclobutyl]carbamoyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[[3-(3-chlorophenyl)cyclobutyl]carbamoyl]phenyl]acetic acid
PubChem CID146130635
Molecular FormulaC19H18ClNO3
Molecular Weight343.81 g/mol
Exact Mass343.10
IUPAC Name2-[3-[[3-(3-chlorophenyl)cyclobutyl]carbamoyl]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(C(=O)NC2CC(c3cccc(Cl)c3)C2)c1
InChIInChI=1S/C19H18ClNO3/c20-16-6-2-4-13(9-16)15-10-17(11-15)21-19(24)14-5-1-3-12(7-14)8-18(22)23/h1-7,9,15,17H,8,10-11H2,(H,21,24)(H,22,23)
InChIKeyMHCOGAXCDCRARD-UHFFFAOYSA-N
XLogP3.64
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 ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[3-(3-chlorophenyl)cyclobutyl]amino]butanoic acid
CID 60782735
2-[3-[(2-hydroxyspiro[3.3]heptan-6-yl)carbamoyl]phenyl]acetic acid
CID 166284878
N-[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-3-chlorobenzamide
CID 98815691
4-[[3-(3-chlorophenyl)cyclobutyl]amino]benzoic acid
CID 43635176
cis-(1R,3S)-3-[(3-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106320533
2-[3-[4-(cyclopropylcarbamoyl)-2-pyridinyl]phenyl]acetic acid
CID 155910539
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(3-chlorophenyl)acetamide
CID 55084121
3-chloro-N-(3-methylcyclopentyl)benzamide
CID 114549458
2-[[3-(3-chlorophenyl)cyclobutyl]amino]-N,N-dimethylacetamide
CID 43635314
N-(4-aminocyclohexyl)-3-chlorobenzamide
CID 62313478
N-[3-(3-chlorophenyl)cyclobutyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 136534933
3-[[3-(3-chlorophenyl)cyclopentyl]carbamoyl-methylamino]propanoic acid
CID 122017047

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[3-(3-chlorophenyl)cyclobutyl]carbamoyl]phenyl]acetic acid?
The IUPAC name of 2-[3-[[3-(3-chlorophenyl)cyclobutyl]carbamoyl]phenyl]acetic acid (CID 146130635) is 2-[3-[[3-(3-chlorophenyl)cyclobutyl]carbamoyl]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[[3-(3-chlorophenyl)cyclobutyl]carbamoyl]phenyl]acetic acid?
The canonical SMILES for 2-[3-[[3-(3-chlorophenyl)cyclobutyl]carbamoyl]phenyl]acetic acid is O=C(O)Cc1cccc(C(=O)NC2CC(c3cccc(Cl)c3)C2)c1.
What is the InChIKey of 2-[3-[[3-(3-chlorophenyl)cyclobutyl]carbamoyl]phenyl]acetic acid?
The InChIKey is MHCOGAXCDCRARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO3/c20-16-6-2-4-13(9-16)15-10-17(11-15)21-19(24)14-5-1-3-12(7-14)8-18(22)23/h1-7,9,15,17H,8,10-11H2,(H,21,24)(H,22,23).
What are the key properties of 2-[3-[[3-(3-chlorophenyl)cyclobutyl]carbamoyl]phenyl]acetic acid?
2-[3-[[3-(3-chlorophenyl)cyclobutyl]carbamoyl]phenyl]acetic acid has a molecular weight of 343.81 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[3-(3-chlorophenyl)cyclobutyl]carbamoyl]phenyl]acetic acid is sourced from PubChem (CID 146130635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).