1-benzamido-2-(3-chlorobenzoyl)cyclopropane-1-carboxylic acid

C18H14ClNO4 — CID 70256454

IUPAC1-benzamido-2-(3-chlorobenzoyl)cyclopropane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CC1C(=O)c1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C18H14ClNO4/c19-13-8-4-7-12(9-13)15(21)14-10-18(14,17(23)24)20-16(22)11-5-2-1-3-6-11/h1-9,14H,10H2,(H,20,22)(H,23,24)
InChIKeyIMJQOYNSVNRUIT-UHFFFAOYSA-N
MW343.77 g/mol
LogP2.80
Rot. Bonds5

About 1-benzamido-2-(3-chlorobenzoyl)cyclopropane-1-carboxylic acid

1-benzamido-2-(3-chlorobenzoyl)cyclopropane-1-carboxylic acid (PubChem CID 70256454) has the molecular formula C18H14ClNO4 and a molecular weight of 343.77 g/mol. Its IUPAC name is 1-benzamido-2-(3-chlorobenzoyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-benzamido-2-(3-chlorobenzoyl)cyclopropane-1-carboxylic acid
PubChem CID70256454
Molecular FormulaC18H14ClNO4
Molecular Weight343.77 g/mol
Exact Mass343.06
IUPAC Name1-benzamido-2-(3-chlorobenzoyl)cyclopropane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CC1C(=O)c1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C18H14ClNO4/c19-13-8-4-7-12(9-13)15(21)14-10-18(14,17(23)24)20-16(22)11-5-2-1-3-6-11/h1-9,14H,10H2,(H,20,22)(H,23,24)
InChIKeyIMJQOYNSVNRUIT-UHFFFAOYSA-N
XLogP2.80
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzamido-2-(3-bromobenzoyl)cyclopropane-1-carboxylic acid
CID 70256965
1-[(4-chlorobenzoyl)amino]-2-phenylcyclopropane-1-carboxylic acid
CID 84559124
1-[(3-bromobenzoyl)amino]-2-phenylcyclopropane-1-carboxylic acid
CID 84558954
benzoic acid;3-chlorobenzoic acid
CID 162034638
1-[(3-methylbenzoyl)amino]-2-phenylcyclopropane-1-carboxylic acid
CID 84559404
3-bicyclo[3.1.0]hexanyl-(3-chlorophenyl)methanone
CID 114964124
(3-chlorophenyl)-(4,4-difluorocyclohexyl)methanone
CID 105082691
(1S,2R,4R,5S)-1-benzamido-2,5-dihydroxy-4-methylcyclohexane-1-carboxylic acid
CID 101111926
3-chloro-N-[3-[(3-chlorobenzoyl)amino]phenyl]benzamide
CID 1369981
3-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 62527858
tetrakis(3-chlorobenzoic acid);bis(rhodium)
CID 11967271
2-(3-chlorobenzoyl)indene-1,3-dione
CID 22648334

Frequently Asked Questions

What is the IUPAC name of 1-benzamido-2-(3-chlorobenzoyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-benzamido-2-(3-chlorobenzoyl)cyclopropane-1-carboxylic acid (CID 70256454) is 1-benzamido-2-(3-chlorobenzoyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-benzamido-2-(3-chlorobenzoyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-benzamido-2-(3-chlorobenzoyl)cyclopropane-1-carboxylic acid is O=C(NC1(C(=O)O)CC1C(=O)c1cccc(Cl)c1)c1ccccc1.
What is the InChIKey of 1-benzamido-2-(3-chlorobenzoyl)cyclopropane-1-carboxylic acid?
The InChIKey is IMJQOYNSVNRUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO4/c19-13-8-4-7-12(9-13)15(21)14-10-18(14,17(23)24)20-16(22)11-5-2-1-3-6-11/h1-9,14H,10H2,(H,20,22)(H,23,24).
What are the key properties of 1-benzamido-2-(3-chlorobenzoyl)cyclopropane-1-carboxylic acid?
1-benzamido-2-(3-chlorobenzoyl)cyclopropane-1-carboxylic acid has a molecular weight of 343.77 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzamido-2-(3-chlorobenzoyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 70256454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).