7-chloro-N-[(1S)-1-cyclopropylethyl]-1,3-benzodioxole-5-carboxamide

C13H14ClNO3 — CID 51465630

IUPAC7-chloro-N-[(1S)-1-cyclopropylethyl]-1,3-benzodioxole-5-carboxamide
SMILESC[C@H](NC(=O)c1cc(Cl)c2c(c1)OCO2)C1CC1
InChIInChI=1S/C13H14ClNO3/c1-7(8-2-3-8)15-13(16)9-4-10(14)12-11(5-9)17-6-18-12/h4-5,7-8H,2-3,6H2,1H3,(H,15,16)/t7-/m0/s1
InChIKeyIPXBSQVCTNGLSA-ZETCQYMHSA-N
MW267.71 g/mol
LogP2.60
Rot. Bonds3

About 7-chloro-N-[(1S)-1-cyclopropylethyl]-1,3-benzodioxole-5-carboxamide

7-chloro-N-[(1S)-1-cyclopropylethyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 51465630) has the molecular formula C13H14ClNO3 and a molecular weight of 267.71 g/mol. Its IUPAC name is 7-chloro-N-[(1S)-1-cyclopropylethyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound Name7-chloro-N-[(1S)-1-cyclopropylethyl]-1,3-benzodioxole-5-carboxamide
PubChem CID51465630
Molecular FormulaC13H14ClNO3
Molecular Weight267.71 g/mol
Exact Mass267.07
IUPAC Name7-chloro-N-[(1S)-1-cyclopropylethyl]-1,3-benzodioxole-5-carboxamide
SMILESC[C@H](NC(=O)c1cc(Cl)c2c(c1)OCO2)C1CC1
InChIInChI=1S/C13H14ClNO3/c1-7(8-2-3-8)15-13(16)9-4-10(14)12-11(5-9)17-6-18-12/h4-5,7-8H,2-3,6H2,1H3,(H,15,16)/t7-/m0/s1
InChIKeyIPXBSQVCTNGLSA-ZETCQYMHSA-N
XLogP2.60
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.71
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-chloro-N-[(1S)-1-cyclopropylethyl]-1,3-benzodioxole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R)-1-cyclopropylethyl]-1,3-benzodioxole-5-carboxamide
CID 51464805
7-chloro-N-(6-methylheptan-2-yl)-1,3-benzodioxole-5-carboxamide
CID 46515788
7-chloro-N-[(2S)-1-methoxypropan-2-yl]-1,3-benzodioxole-5-carboxamide
CID 34834045
7-chloro-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide
CID 39754944
7-chloro-N-[1-(4-fluorophenyl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 46654256
7-chloro-N-[(2R)-2-hydroxypropyl]-1,3-benzodioxole-5-carboxamide
CID 83032162
7-chloro-N-(3-hydroxy-2-methylbutan-2-yl)-1,3-benzodioxole-5-carboxamide
CID 115884380
5-chloro-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 27648173
3,5-dichloro-N-(1-cyclopropylethyl)-4-methoxybenzamide
CID 134040755
7-chloro-N-[(2R)-1-(furan-2-yl)propan-2-yl]-1,3-benzodioxole-5-carboxamide
CID 51938287
3-chloro-N-(1-cyclopropylethyl)-4-hydroxybenzamide
CID 42919481
(2R)-2-[(5-chloro-2,3-dihydro-1,4-benzodioxine-7-carbonyl)amino]propanoic acid
CID 54990844

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[(1S)-1-cyclopropylethyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of 7-chloro-N-[(1S)-1-cyclopropylethyl]-1,3-benzodioxole-5-carboxamide (CID 51465630) is 7-chloro-N-[(1S)-1-cyclopropylethyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for 7-chloro-N-[(1S)-1-cyclopropylethyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for 7-chloro-N-[(1S)-1-cyclopropylethyl]-1,3-benzodioxole-5-carboxamide is C[C@H](NC(=O)c1cc(Cl)c2c(c1)OCO2)C1CC1.
What is the InChIKey of 7-chloro-N-[(1S)-1-cyclopropylethyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is IPXBSQVCTNGLSA-ZETCQYMHSA-N. The full InChI is InChI=1S/C13H14ClNO3/c1-7(8-2-3-8)15-13(16)9-4-10(14)12-11(5-9)17-6-18-12/h4-5,7-8H,2-3,6H2,1H3,(H,15,16)/t7-/m0/s1.
What are the key properties of 7-chloro-N-[(1S)-1-cyclopropylethyl]-1,3-benzodioxole-5-carboxamide?
7-chloro-N-[(1S)-1-cyclopropylethyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 267.71 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[(1S)-1-cyclopropylethyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 51465630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).