N-(1-chloro-2,2-diphenylethenyl)-N-phenylformamide

C21H16ClNO — CID 71334074

IUPACN-(1-chloro-2,2-diphenylethenyl)-N-phenylformamide
SMILESO=CN(C(Cl)=C(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H16ClNO/c22-21(23(16-24)19-14-8-3-9-15-19)20(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-16H
InChIKeyUYQVZMCFSLHQAC-UHFFFAOYSA-N
MW333.82 g/mol
LogP5.31
Rot. Bonds5

About N-(1-chloro-2,2-diphenylethenyl)-N-phenylformamide

N-(1-chloro-2,2-diphenylethenyl)-N-phenylformamide (PubChem CID 71334074) has the molecular formula C21H16ClNO and a molecular weight of 333.82 g/mol. Its IUPAC name is N-(1-chloro-2,2-diphenylethenyl)-N-phenylformamide.

Molecular Properties

Compound NameN-(1-chloro-2,2-diphenylethenyl)-N-phenylformamide
PubChem CID71334074
Molecular FormulaC21H16ClNO
Molecular Weight333.82 g/mol
Exact Mass333.09
IUPAC NameN-(1-chloro-2,2-diphenylethenyl)-N-phenylformamide
SMILESO=CN(C(Cl)=C(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H16ClNO/c22-21(23(16-24)19-14-8-3-9-15-19)20(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-16H
InChIKeyUYQVZMCFSLHQAC-UHFFFAOYSA-N
XLogP5.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.82
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

(4-chloro-N-(1-chloro-2,2-diphenylethenyl)anilino)methylidene-dimethylazanium
CID 134921428
N-phenyl-N-(phenylcarbamothioyl)formamide
CID 110272511
N-carbamoyl-N-(3-phenylphenyl)formamide
CID 91260072
CID 67882804
CID 67882804
phosphane;1,2,2-triphenylethenylbenzene
CID 157288563
3-[amino(formyl)amino]benzoic acid
CID 174600142
2,2-diphenylethene-1,1-diselenol
CID 175146391
methanethioyl(phenyl)carbamic acid
CID 87719444
N-phenyl-N-sulfanylformamide
CID 56986752
4-[2,2-bis[4-(dimethylamino)phenyl]-1-phenylethenyl]benzaldehyde
CID 102222128
dilithium;hydride;1,2,2-triphenylethenylbenzene
CID 173364079
1,2-diphenylethane-1,2-dione;2-oxo-2-(N-phenylanilino)acetic acid
CID 174668651

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-2,2-diphenylethenyl)-N-phenylformamide?
The IUPAC name of N-(1-chloro-2,2-diphenylethenyl)-N-phenylformamide (CID 71334074) is N-(1-chloro-2,2-diphenylethenyl)-N-phenylformamide.
What is the SMILES notation for N-(1-chloro-2,2-diphenylethenyl)-N-phenylformamide?
The canonical SMILES for N-(1-chloro-2,2-diphenylethenyl)-N-phenylformamide is O=CN(C(Cl)=C(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of N-(1-chloro-2,2-diphenylethenyl)-N-phenylformamide?
The InChIKey is UYQVZMCFSLHQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClNO/c22-21(23(16-24)19-14-8-3-9-15-19)20(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-16H.
What are the key properties of N-(1-chloro-2,2-diphenylethenyl)-N-phenylformamide?
N-(1-chloro-2,2-diphenylethenyl)-N-phenylformamide has a molecular weight of 333.82 g/mol, XLogP of 5.31, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-2,2-diphenylethenyl)-N-phenylformamide is sourced from PubChem (CID 71334074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).