4-chloro-1-N-cyclopropylbenzene-1,3-dicarboxamide

C11H11ClN2O2 — CID 129113636

IUPAC4-chloro-1-N-cyclopropylbenzene-1,3-dicarboxamide
SMILESNC(=O)c1cc(C(=O)NC2CC2)ccc1Cl
InChIInChI=1S/C11H11ClN2O2/c12-9-4-1-6(5-8(9)10(13)15)11(16)14-7-2-3-7/h1,4-5,7H,2-3H2,(H2,13,15)(H,14,16)
InChIKeyGCCJLZDQWXAGFS-UHFFFAOYSA-N
MW238.67 g/mol
LogP1.33
Rot. Bonds3

About 4-chloro-1-N-cyclopropylbenzene-1,3-dicarboxamide

4-chloro-1-N-cyclopropylbenzene-1,3-dicarboxamide (PubChem CID 129113636) has the molecular formula C11H11ClN2O2 and a molecular weight of 238.67 g/mol. Its IUPAC name is 4-chloro-1-N-cyclopropylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name4-chloro-1-N-cyclopropylbenzene-1,3-dicarboxamide
PubChem CID129113636
Molecular FormulaC11H11ClN2O2
Molecular Weight238.67 g/mol
Exact Mass238.05
IUPAC Name4-chloro-1-N-cyclopropylbenzene-1,3-dicarboxamide
SMILESNC(=O)c1cc(C(=O)NC2CC2)ccc1Cl
InChIInChI=1S/C11H11ClN2O2/c12-9-4-1-6(5-8(9)10(13)15)11(16)14-7-2-3-7/h1,4-5,7H,2-3H2,(H2,13,15)(H,14,16)
InChIKeyGCCJLZDQWXAGFS-UHFFFAOYSA-N
XLogP1.33
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dichloro-N-(4-oxocyclohexyl)benzamide
CID 43652866
2,5-dichloro-N-[4-[(2,5-dichlorobenzoyl)amino]cyclohexyl]benzamide
CID 2165949
3-bromo-4-chloro-N-cycloheptylbenzamide
CID 107999241
4-chloro-N-cyclopropyl-3-(methylsulfamoyl)benzamide
CID 9165471
4-chloro-N-cyclobutyl-3-nitrobenzamide
CID 62415356
3-bromo-4-chloro-N-(thian-4-yl)benzamide
CID 103841879
4-N-(4-aminocyclohexyl)benzene-1,4-dicarboxamide;hydrochloride
CID 119478160
4-[(3-chloro-4-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63194787
2-chloro-4-[[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 33006842
N-(4-aminocyclohexyl)-4-chlorobenzamide;hydrochloride
CID 86277368
N-(4-aminocyclohexyl)-3-chlorobenzamide
CID 62313478
3-N-cyclopropyl-1-N-(2,6-dichlorophenyl)benzene-1,3-dicarboxamide
CID 109050846

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-N-cyclopropylbenzene-1,3-dicarboxamide?
The IUPAC name of 4-chloro-1-N-cyclopropylbenzene-1,3-dicarboxamide (CID 129113636) is 4-chloro-1-N-cyclopropylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 4-chloro-1-N-cyclopropylbenzene-1,3-dicarboxamide?
The canonical SMILES for 4-chloro-1-N-cyclopropylbenzene-1,3-dicarboxamide is NC(=O)c1cc(C(=O)NC2CC2)ccc1Cl.
What is the InChIKey of 4-chloro-1-N-cyclopropylbenzene-1,3-dicarboxamide?
The InChIKey is GCCJLZDQWXAGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2/c12-9-4-1-6(5-8(9)10(13)15)11(16)14-7-2-3-7/h1,4-5,7H,2-3H2,(H2,13,15)(H,14,16).
What are the key properties of 4-chloro-1-N-cyclopropylbenzene-1,3-dicarboxamide?
4-chloro-1-N-cyclopropylbenzene-1,3-dicarboxamide has a molecular weight of 238.67 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-N-cyclopropylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 129113636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).