3-[(1-aminocyclopropanecarbonyl)amino]-4-chlorobenzamide

C11H12ClN3O2 — CID 65464421

IUPAC3-[(1-aminocyclopropanecarbonyl)amino]-4-chlorobenzamide
SMILESNC(=O)c1ccc(Cl)c(NC(=O)C2(N)CC2)c1
InChIInChI=1S/C11H12ClN3O2/c12-7-2-1-6(9(13)16)5-8(7)15-10(17)11(14)3-4-11/h1-2,5H,3-4,14H2,(H2,13,16)(H,15,17)
InChIKeyNYBQHHDLTKQDSX-UHFFFAOYSA-N
MW253.69 g/mol
LogP0.87
Rot. Bonds3

About 3-[(1-aminocyclopropanecarbonyl)amino]-4-chlorobenzamide

3-[(1-aminocyclopropanecarbonyl)amino]-4-chlorobenzamide (PubChem CID 65464421) has the molecular formula C11H12ClN3O2 and a molecular weight of 253.69 g/mol. Its IUPAC name is 3-[(1-aminocyclopropanecarbonyl)amino]-4-chlorobenzamide.

Molecular Properties

Compound Name3-[(1-aminocyclopropanecarbonyl)amino]-4-chlorobenzamide
PubChem CID65464421
Molecular FormulaC11H12ClN3O2
Molecular Weight253.69 g/mol
Exact Mass253.06
IUPAC Name3-[(1-aminocyclopropanecarbonyl)amino]-4-chlorobenzamide
SMILESNC(=O)c1ccc(Cl)c(NC(=O)C2(N)CC2)c1
InChIInChI=1S/C11H12ClN3O2/c12-7-2-1-6(9(13)16)5-8(7)15-10(17)11(14)3-4-11/h1-2,5H,3-4,14H2,(H2,13,16)(H,15,17)
InChIKeyNYBQHHDLTKQDSX-UHFFFAOYSA-N
XLogP0.87
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 115293838
3-[(1-aminocyclohexanecarbonyl)amino]-4-fluorobenzamide
CID 43706072
3-(carbamothioylamino)-4-chlorobenzamide
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4-[(1-aminocyclohexanecarbonyl)amino]-3-methylbenzamide
CID 43706651
1-amino-N-(5-bromo-2-chlorophenyl)cyclohexane-1-carboxamide
CID 55131672
N-(5-carbamoyl-2-chlorophenyl)-3-ethylpiperidine-3-carboxamide
CID 63130126
4-chloro-3-[[2-(4-chlorophenyl)acetyl]amino]benzamide
CID 50875886
1-amino-N-(2,4,5-trichlorophenyl)cyclobutane-1-carboxamide
CID 81167511
1-amino-N-(2,4,5-trichlorophenyl)cyclohexane-1-carboxamide
CID 29300214
3-[[4-(bromomethyl)benzoyl]amino]-4-chlorobenzamide
CID 102851094
1-amino-N-[2-(2,5-dichloroanilino)-2-oxoethyl]cyclopropane-1-carboxamide
CID 119683786
4-chloro-3-(thian-4-ylamino)benzamide
CID 43679588

Frequently Asked Questions

What is the IUPAC name of 3-[(1-aminocyclopropanecarbonyl)amino]-4-chlorobenzamide?
The IUPAC name of 3-[(1-aminocyclopropanecarbonyl)amino]-4-chlorobenzamide (CID 65464421) is 3-[(1-aminocyclopropanecarbonyl)amino]-4-chlorobenzamide.
What is the SMILES notation for 3-[(1-aminocyclopropanecarbonyl)amino]-4-chlorobenzamide?
The canonical SMILES for 3-[(1-aminocyclopropanecarbonyl)amino]-4-chlorobenzamide is NC(=O)c1ccc(Cl)c(NC(=O)C2(N)CC2)c1.
What is the InChIKey of 3-[(1-aminocyclopropanecarbonyl)amino]-4-chlorobenzamide?
The InChIKey is NYBQHHDLTKQDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2/c12-7-2-1-6(9(13)16)5-8(7)15-10(17)11(14)3-4-11/h1-2,5H,3-4,14H2,(H2,13,16)(H,15,17).
What are the key properties of 3-[(1-aminocyclopropanecarbonyl)amino]-4-chlorobenzamide?
3-[(1-aminocyclopropanecarbonyl)amino]-4-chlorobenzamide has a molecular weight of 253.69 g/mol, XLogP of 0.87, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-aminocyclopropanecarbonyl)amino]-4-chlorobenzamide is sourced from PubChem (CID 65464421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).