3-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]-N-methylbenzamide

C18H17ClN2O2 — CID 43000556

IUPAC3-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)C2(c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C18H17ClN2O2/c1-20-16(22)12-3-2-4-15(11-12)21-17(23)18(9-10-18)13-5-7-14(19)8-6-13/h2-8,11H,9-10H2,1H3,(H,20,22)(H,21,23)
InChIKeyDCKOZQKKRKEATE-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.37
Rot. Bonds4

About 3-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]-N-methylbenzamide

3-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]-N-methylbenzamide (PubChem CID 43000556) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is 3-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name3-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]-N-methylbenzamide
PubChem CID43000556
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name3-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)C2(c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C18H17ClN2O2/c1-20-16(22)12-3-2-4-15(11-12)21-17(23)18(9-10-18)13-5-7-14(19)8-6-13/h2-8,11H,9-10H2,1H3,(H,20,22)(H,21,23)
InChIKeyDCKOZQKKRKEATE-UHFFFAOYSA-N
XLogP3.37
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-N-(3-methylsulfanylphenyl)cyclopropane-1-carboxamide
CID 26086733
3-[(1-aminocyclobutanecarbonyl)amino]-N-methylbenzamide
CID 81172976
3-[(1-phenylcyclopropanecarbonyl)amino]benzamide
CID 51152911
1-(4-chlorophenyl)-N-phenylcyclopentane-1-carboxamide
CID 22236982
1-(4-chlorophenyl)-N-(3-ethynylphenyl)cyclobutane-1-carboxamide
CID 55514323
3-[4-[[1-(3,4-dihydroxyphenyl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-methylbenzamide
CID 71174360
N-(3-acetamidophenyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 110439128
N-(3-acetylphenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 110439190
N-(4-chloro-2-methylphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 7914599
3-(3-aminopropanoylamino)-N-methylbenzamide
CID 61258621
1-(4-aminophenyl)-N-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 99706799
3-chloro-N-[4-[1-(ethylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821535

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]-N-methylbenzamide?
The IUPAC name of 3-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]-N-methylbenzamide (CID 43000556) is 3-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]-N-methylbenzamide.
What is the SMILES notation for 3-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]-N-methylbenzamide?
The canonical SMILES for 3-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]-N-methylbenzamide is CNC(=O)c1cccc(NC(=O)C2(c3ccc(Cl)cc3)CC2)c1.
What is the InChIKey of 3-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]-N-methylbenzamide?
The InChIKey is DCKOZQKKRKEATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c1-20-16(22)12-3-2-4-15(11-12)21-17(23)18(9-10-18)13-5-7-14(19)8-6-13/h2-8,11H,9-10H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 3-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]-N-methylbenzamide?
3-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]-N-methylbenzamide has a molecular weight of 328.80 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]-N-methylbenzamide is sourced from PubChem (CID 43000556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).