(2S)-N-[(Z)-(4-chlorophenyl)methylideneamino]-2-cyano-2-phenylacetamide

C16H12ClN3O — CID 126210762

IUPAC(2S)-N-[(Z)-(4-chlorophenyl)methylideneamino]-2-cyano-2-phenylacetamide
SMILESN#C[C@@H](C(=O)N/N=C\c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C16H12ClN3O/c17-14-8-6-12(7-9-14)11-19-20-16(21)15(10-18)13-4-2-1-3-5-13/h1-9,11,15H,(H,20,21)/b19-11-/t15-/m1/s1
InChIKeyIMGPROLUIHXVLW-MXDDHBLUSA-N
MW297.75 g/mol
LogP3.10
Rot. Bonds4

About (2S)-N-[(Z)-(4-chlorophenyl)methylideneamino]-2-cyano-2-phenylacetamide

(2S)-N-[(Z)-(4-chlorophenyl)methylideneamino]-2-cyano-2-phenylacetamide (PubChem CID 126210762) has the molecular formula C16H12ClN3O and a molecular weight of 297.75 g/mol. Its IUPAC name is (2S)-N-[(Z)-(4-chlorophenyl)methylideneamino]-2-cyano-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-[(Z)-(4-chlorophenyl)methylideneamino]-2-cyano-2-phenylacetamide
PubChem CID126210762
Molecular FormulaC16H12ClN3O
Molecular Weight297.75 g/mol
Exact Mass297.07
IUPAC Name(2S)-N-[(Z)-(4-chlorophenyl)methylideneamino]-2-cyano-2-phenylacetamide
SMILESN#C[C@@H](C(=O)N/N=C\c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C16H12ClN3O/c17-14-8-6-12(7-9-14)11-19-20-16(21)15(10-18)13-4-2-1-3-5-13/h1-9,11,15H,(H,20,21)/b19-11-/t15-/m1/s1
InChIKeyIMGPROLUIHXVLW-MXDDHBLUSA-N
XLogP3.10
TPSA65.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.75
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-cyano-2-phenyl-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 126213918
(2R)-2-cyano-N-[(Z)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide
CID 126201806
(2R)-2-cyano-2-phenyl-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
CID 126203787
(2S)-N-[(Z)-(4-chlorophenyl)methylideneamino]-2-methoxy-2-phenylacetamide
CID 5414429
(2R)-N-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-cyano-2-phenylacetamide
CID 126204080
(2R)-2-cyano-2-phenyl-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
CID 126211490
N-[(4-chlorophenyl)methylideneamino]-2-[(2,2-diphenylacetyl)amino]-3-methylbutanamide
CID 3130697
(2S)-N-[(Z)-[4-[2-(2-chlorophenoxy)ethoxy]-3-methoxyphenyl]methylideneamino]-2-cyano-2-phenylacetamide
CID 126201266
(2R)-2-cyano-N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-phenylacetamide
CID 137059469
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-phenyl-2-piperidin-1-ylacetamide
CID 6044072
N-[(E)-(4-chlorophenyl)methylideneamino]-2-phenyl-2-piperidin-1-ylacetamide
CID 5380919
(2S)-2-cyano-N-[(Z)-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-phenylacetamide
CID 126200771

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(Z)-(4-chlorophenyl)methylideneamino]-2-cyano-2-phenylacetamide?
The IUPAC name of (2S)-N-[(Z)-(4-chlorophenyl)methylideneamino]-2-cyano-2-phenylacetamide (CID 126210762) is (2S)-N-[(Z)-(4-chlorophenyl)methylideneamino]-2-cyano-2-phenylacetamide.
What is the SMILES notation for (2S)-N-[(Z)-(4-chlorophenyl)methylideneamino]-2-cyano-2-phenylacetamide?
The canonical SMILES for (2S)-N-[(Z)-(4-chlorophenyl)methylideneamino]-2-cyano-2-phenylacetamide is N#C[C@@H](C(=O)N/N=C\c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of (2S)-N-[(Z)-(4-chlorophenyl)methylideneamino]-2-cyano-2-phenylacetamide?
The InChIKey is IMGPROLUIHXVLW-MXDDHBLUSA-N. The full InChI is InChI=1S/C16H12ClN3O/c17-14-8-6-12(7-9-14)11-19-20-16(21)15(10-18)13-4-2-1-3-5-13/h1-9,11,15H,(H,20,21)/b19-11-/t15-/m1/s1.
What are the key properties of (2S)-N-[(Z)-(4-chlorophenyl)methylideneamino]-2-cyano-2-phenylacetamide?
(2S)-N-[(Z)-(4-chlorophenyl)methylideneamino]-2-cyano-2-phenylacetamide has a molecular weight of 297.75 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(Z)-(4-chlorophenyl)methylideneamino]-2-cyano-2-phenylacetamide is sourced from PubChem (CID 126210762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).