1-[(4-chlorobenzoyl)amino]-2-phenylcyclopropane-1-carboxylic acid

C17H14ClNO3 — CID 84559124

IUPAC1-[(4-chlorobenzoyl)amino]-2-phenylcyclopropane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CC1c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H14ClNO3/c18-13-8-6-12(7-9-13)15(20)19-17(16(21)22)10-14(17)11-4-2-1-3-5-11/h1-9,14H,10H2,(H,19,20)(H,21,22)
InChIKeyFVYYSSWNQYLHHH-UHFFFAOYSA-N
MW315.76 g/mol
LogP3.08
Rot. Bonds4

About 1-[(4-chlorobenzoyl)amino]-2-phenylcyclopropane-1-carboxylic acid

1-[(4-chlorobenzoyl)amino]-2-phenylcyclopropane-1-carboxylic acid (PubChem CID 84559124) has the molecular formula C17H14ClNO3 and a molecular weight of 315.76 g/mol. Its IUPAC name is 1-[(4-chlorobenzoyl)amino]-2-phenylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-chlorobenzoyl)amino]-2-phenylcyclopropane-1-carboxylic acid
PubChem CID84559124
Molecular FormulaC17H14ClNO3
Molecular Weight315.76 g/mol
Exact Mass315.07
IUPAC Name1-[(4-chlorobenzoyl)amino]-2-phenylcyclopropane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CC1c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H14ClNO3/c18-13-8-6-12(7-9-13)15(20)19-17(16(21)22)10-14(17)11-4-2-1-3-5-11/h1-9,14H,10H2,(H,19,20)(H,21,22)
InChIKeyFVYYSSWNQYLHHH-UHFFFAOYSA-N
XLogP3.08
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-methylbenzoyl)amino]-2-phenylcyclopropane-1-carboxylic acid
CID 84559404
1-[(3-bromobenzoyl)amino]-2-phenylcyclopropane-1-carboxylic acid
CID 84558954
1-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid
CID 59692353
trans-(1R,2S)-1-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid
CID 46882594
1-(cyclobutanecarbonylamino)-2-phenylcyclopropane-1-carboxylic acid
CID 84559564
trans-(1S,2R)-1-[[(2S)-2-hydroxypropanoyl]amino]-2-phenylcyclopropane-1-carboxylic acid
CID 176961744
2-phenyl-1-(pyrazine-2-carbonylamino)cyclopropane-1-carboxylic acid
CID 148952571
cis-(1S,2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropane-1-carboxylic acid
CID 7009514
trans-(1S,2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropane-1-carboxylic acid
CID 7009512
1-benzamido-2-(3-chlorobenzoyl)cyclopropane-1-carboxylic acid
CID 70256454
trans-(1S,2R)-1-(benzylamino)-2-phenylcyclopropane-1-carboxylic acid
CID 89498617
1-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-2-(3-phenylphenyl)cyclopropane-1-carboxylic acid
CID 59692288

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorobenzoyl)amino]-2-phenylcyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(4-chlorobenzoyl)amino]-2-phenylcyclopropane-1-carboxylic acid (CID 84559124) is 1-[(4-chlorobenzoyl)amino]-2-phenylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-chlorobenzoyl)amino]-2-phenylcyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(4-chlorobenzoyl)amino]-2-phenylcyclopropane-1-carboxylic acid is O=C(NC1(C(=O)O)CC1c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorobenzoyl)amino]-2-phenylcyclopropane-1-carboxylic acid?
The InChIKey is FVYYSSWNQYLHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO3/c18-13-8-6-12(7-9-13)15(20)19-17(16(21)22)10-14(17)11-4-2-1-3-5-11/h1-9,14H,10H2,(H,19,20)(H,21,22).
What are the key properties of 1-[(4-chlorobenzoyl)amino]-2-phenylcyclopropane-1-carboxylic acid?
1-[(4-chlorobenzoyl)amino]-2-phenylcyclopropane-1-carboxylic acid has a molecular weight of 315.76 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorobenzoyl)amino]-2-phenylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 84559124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).