2-chloro-N-(2-cyanoethyl)-N-[(1R)-1-cyclopropylethyl]benzamide

C15H17ClN2O — CID 95323356

IUPAC2-chloro-N-(2-cyanoethyl)-N-[(1R)-1-cyclopropylethyl]benzamide
SMILESC[C@H](C1CC1)N(CCC#N)C(=O)c1ccccc1Cl
InChIInChI=1S/C15H17ClN2O/c1-11(12-7-8-12)18(10-4-9-17)15(19)13-5-2-3-6-14(13)16/h2-3,5-6,11-12H,4,7-8,10H2,1H3/t11-/m1/s1
InChIKeyXCGPINPUMRIUME-LLVKDONJSA-N
MW276.77 g/mol
LogP3.49
Rot. Bonds5

About 2-chloro-N-(2-cyanoethyl)-N-[(1R)-1-cyclopropylethyl]benzamide

2-chloro-N-(2-cyanoethyl)-N-[(1R)-1-cyclopropylethyl]benzamide (PubChem CID 95323356) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 2-chloro-N-(2-cyanoethyl)-N-[(1R)-1-cyclopropylethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-(2-cyanoethyl)-N-[(1R)-1-cyclopropylethyl]benzamide
PubChem CID95323356
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name2-chloro-N-(2-cyanoethyl)-N-[(1R)-1-cyclopropylethyl]benzamide
SMILESC[C@H](C1CC1)N(CCC#N)C(=O)c1ccccc1Cl
InChIInChI=1S/C15H17ClN2O/c1-11(12-7-8-12)18(10-4-9-17)15(19)13-5-2-3-6-14(13)16/h2-3,5-6,11-12H,4,7-8,10H2,1H3/t11-/m1/s1
InChIKeyXCGPINPUMRIUME-LLVKDONJSA-N
XLogP3.49
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N,N-bis(2-cyanoethyl)benzamide
CID 521802
2-chloro-N-(2-cyanoethyl)-N-cyclohexylbenzamide
CID 2807201
4-chloro-N-(2-cyanoethyl)-N-propan-2-ylpyridine-3-carboxamide
CID 81225108
2-chloro-N-(2-cyanoethyl)-N-propan-2-ylpyridine-3-carboxamide
CID 61040490
4-bromo-2-chloro-N-(2-cyanoethyl)-N-propan-2-ylbenzamide
CID 54996542
N-benzyl-2-chloro-N-(2-cyanoethyl)benzamide
CID 43911621
N-(2-cyanoethyl)-N-[(1S)-1-cyclopropylethyl]-2-(4-nitrophenyl)acetamide
CID 95333980
2-chloro-N-(2-cyanoethyl)-N-(2-phenylethyl)benzamide
CID 54790334
N-benzyl-2,4-dichloro-N-[(1S)-1-cyclopropylethyl]-5-methylbenzamide
CID 6990705
4-chloro-N-(2-cyanoethyl)-2-hydroxy-N-propan-2-ylbenzamide
CID 54997017
2-chloro-N-(2-cyanoethyl)-N-propan-2-ylfuran-3-carboxamide
CID 106684802
N-(2-cyanoethyl)-2-[cyclopropyl(1-cyclopropylethyl)amino]-N-phenylacetamide
CID 86993417

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-cyanoethyl)-N-[(1R)-1-cyclopropylethyl]benzamide?
The IUPAC name of 2-chloro-N-(2-cyanoethyl)-N-[(1R)-1-cyclopropylethyl]benzamide (CID 95323356) is 2-chloro-N-(2-cyanoethyl)-N-[(1R)-1-cyclopropylethyl]benzamide.
What is the SMILES notation for 2-chloro-N-(2-cyanoethyl)-N-[(1R)-1-cyclopropylethyl]benzamide?
The canonical SMILES for 2-chloro-N-(2-cyanoethyl)-N-[(1R)-1-cyclopropylethyl]benzamide is C[C@H](C1CC1)N(CCC#N)C(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(2-cyanoethyl)-N-[(1R)-1-cyclopropylethyl]benzamide?
The InChIKey is XCGPINPUMRIUME-LLVKDONJSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-11(12-7-8-12)18(10-4-9-17)15(19)13-5-2-3-6-14(13)16/h2-3,5-6,11-12H,4,7-8,10H2,1H3/t11-/m1/s1.
What are the key properties of 2-chloro-N-(2-cyanoethyl)-N-[(1R)-1-cyclopropylethyl]benzamide?
2-chloro-N-(2-cyanoethyl)-N-[(1R)-1-cyclopropylethyl]benzamide has a molecular weight of 276.77 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-cyanoethyl)-N-[(1R)-1-cyclopropylethyl]benzamide is sourced from PubChem (CID 95323356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).