(2R)-N-[2-(4-chloroanilino)-2-oxoethyl]-2-cyano-3-cyclopropylpropanamide

C15H16ClN3O2 — CID 99783871

IUPAC(2R)-N-[2-(4-chloroanilino)-2-oxoethyl]-2-cyano-3-cyclopropylpropanamide
SMILESN#C[C@@H](CC1CC1)C(=O)NCC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H16ClN3O2/c16-12-3-5-13(6-4-12)19-14(20)9-18-15(21)11(8-17)7-10-1-2-10/h3-6,10-11H,1-2,7,9H2,(H,18,21)(H,19,20)/t11-/m1/s1
InChIKeyGVUROASCESMEMO-LLVKDONJSA-N
MW305.76 g/mol
LogP2.33
Rot. Bonds6

About (2R)-N-[2-(4-chloroanilino)-2-oxoethyl]-2-cyano-3-cyclopropylpropanamide

(2R)-N-[2-(4-chloroanilino)-2-oxoethyl]-2-cyano-3-cyclopropylpropanamide (PubChem CID 99783871) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.76 g/mol. Its IUPAC name is (2R)-N-[2-(4-chloroanilino)-2-oxoethyl]-2-cyano-3-cyclopropylpropanamide.

Molecular Properties

Compound Name(2R)-N-[2-(4-chloroanilino)-2-oxoethyl]-2-cyano-3-cyclopropylpropanamide
PubChem CID99783871
Molecular FormulaC15H16ClN3O2
Molecular Weight305.76 g/mol
Exact Mass305.09
IUPAC Name(2R)-N-[2-(4-chloroanilino)-2-oxoethyl]-2-cyano-3-cyclopropylpropanamide
SMILESN#C[C@@H](CC1CC1)C(=O)NCC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H16ClN3O2/c16-12-3-5-13(6-4-12)19-14(20)9-18-15(21)11(8-17)7-10-1-2-10/h3-6,10-11H,1-2,7,9H2,(H,18,21)(H,19,20)/t11-/m1/s1
InChIKeyGVUROASCESMEMO-LLVKDONJSA-N
XLogP2.33
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(4-chlorophenyl)carbamoylamino]phenyl]-2-(cyclopropylmethylamino)acetamide
CID 119752578
(2S)-2-amino-N-[2-(4-chloroanilino)-2-oxoethyl]-4-methylpentanamide;hydrochloride
CID 119747283
3-amino-N-[2-(4-chloroanilino)-2-oxoethyl]cyclohexane-1-carboxamide
CID 119747250
N-(4-chlorophenyl)-2-(cyclohexylamino)acetamide
CID 788648
2-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-ethylpropanamide
CID 60696183
N-[4-(4-chlorobenzoyl)phenyl]-2-cyano-3-cyclopropyl-3-oxopropanamide
CID 54399848
[1-(4-chloroanilino)-3-cyclopropyl-1-oxopropan-2-yl] methanesulfonate
CID 153354336
N-(4-chlorophenyl)-2-(4-ethylcyclohexyl)propanamide
CID 137389651
N-[2-(4-chloroanilino)-2-oxoethyl]piperidine-2-carboxamide;hydrochloride
CID 119302426
2-(4-acetylcyclohexyl)-N-(4-chlorophenyl)acetamide
CID 121319520
4-chloro-N-cyclopropyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 4169930
N-[2-(4-chloroanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 112997921

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(4-chloroanilino)-2-oxoethyl]-2-cyano-3-cyclopropylpropanamide?
The IUPAC name of (2R)-N-[2-(4-chloroanilino)-2-oxoethyl]-2-cyano-3-cyclopropylpropanamide (CID 99783871) is (2R)-N-[2-(4-chloroanilino)-2-oxoethyl]-2-cyano-3-cyclopropylpropanamide.
What is the SMILES notation for (2R)-N-[2-(4-chloroanilino)-2-oxoethyl]-2-cyano-3-cyclopropylpropanamide?
The canonical SMILES for (2R)-N-[2-(4-chloroanilino)-2-oxoethyl]-2-cyano-3-cyclopropylpropanamide is N#C[C@@H](CC1CC1)C(=O)NCC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of (2R)-N-[2-(4-chloroanilino)-2-oxoethyl]-2-cyano-3-cyclopropylpropanamide?
The InChIKey is GVUROASCESMEMO-LLVKDONJSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c16-12-3-5-13(6-4-12)19-14(20)9-18-15(21)11(8-17)7-10-1-2-10/h3-6,10-11H,1-2,7,9H2,(H,18,21)(H,19,20)/t11-/m1/s1.
What are the key properties of (2R)-N-[2-(4-chloroanilino)-2-oxoethyl]-2-cyano-3-cyclopropylpropanamide?
(2R)-N-[2-(4-chloroanilino)-2-oxoethyl]-2-cyano-3-cyclopropylpropanamide has a molecular weight of 305.76 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(4-chloroanilino)-2-oxoethyl]-2-cyano-3-cyclopropylpropanamide is sourced from PubChem (CID 99783871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).