N-(3,5-dichlorophenyl)-2-phenyl-2-(prop-2-enylamino)acetamide

C17H16Cl2N2O — CID 4883750

IUPACN-(3,5-dichlorophenyl)-2-phenyl-2-(prop-2-enylamino)acetamide
SMILESC=CCNC(C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1
InChIInChI=1S/C17H16Cl2N2O/c1-2-8-20-16(12-6-4-3-5-7-12)17(22)21-15-10-13(18)9-14(19)11-15/h2-7,9-11,16,20H,1,8H2,(H,21,22)
InChIKeyAZGKLVAMKGHVMK-UHFFFAOYSA-N
MW335.23 g/mol
LogP4.45
Rot. Bonds6

About N-(3,5-dichlorophenyl)-2-phenyl-2-(prop-2-enylamino)acetamide

N-(3,5-dichlorophenyl)-2-phenyl-2-(prop-2-enylamino)acetamide (PubChem CID 4883750) has the molecular formula C17H16Cl2N2O and a molecular weight of 335.23 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-2-phenyl-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-2-phenyl-2-(prop-2-enylamino)acetamide
PubChem CID4883750
Molecular FormulaC17H16Cl2N2O
Molecular Weight335.23 g/mol
Exact Mass334.06
IUPAC NameN-(3,5-dichlorophenyl)-2-phenyl-2-(prop-2-enylamino)acetamide
SMILESC=CCNC(C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1
InChIInChI=1S/C17H16Cl2N2O/c1-2-8-20-16(12-6-4-3-5-7-12)17(22)21-15-10-13(18)9-14(19)11-15/h2-7,9-11,16,20H,1,8H2,(H,21,22)
InChIKeyAZGKLVAMKGHVMK-UHFFFAOYSA-N
XLogP4.45
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.23
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-(3,5-dichlorophenyl)-2-phenyl-2-(prop-2-enylamino)acetamide
CID 2494683
(2R)-N-(3,5-dichlorophenyl)-2-[[2-(methylamino)-2-oxoethyl]amino]-2-phenylacetamide
CID 8771892
(2S)-N-(3,5-dichlorophenyl)-2-[[(2R)-1-methoxypropan-2-yl]amino]-2-phenylacetamide
CID 7928811
methyl 2-phenyl-2-(prop-2-enylamino)acetate
CID 21300031
(2R)-N-(3,5-dichlorophenyl)-2-[[(2R)-2-(dimethylamino)-2-phenylethyl]amino]propanamide
CID 8852446
(2R)-2-(benzylamino)-N,2-diphenylacetamide
CID 101449959
methyl 2-(3,5-dichlorophenyl)-2-(prop-2-enylamino)acetate
CID 55063476
(2S)-2-amino-N-(3,5-dichlorophenyl)-4-phenylbutanamide
CID 104983740
[(1S)-2-anilino-1-(4-chlorophenyl)-2-oxoethyl]-prop-2-enylazanium
CID 7437866
[(1S)-2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl] 2-(4-phenylphenyl)acetate
CID 2339067
(2R)-2-formamido-N,2-diphenylacetamide
CID 167282535
[2-(4-chloroanilino)-2-oxoethyl]-[(1S)-2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl]-methylazanium
CID 2515495

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-2-phenyl-2-(prop-2-enylamino)acetamide?
The IUPAC name of N-(3,5-dichlorophenyl)-2-phenyl-2-(prop-2-enylamino)acetamide (CID 4883750) is N-(3,5-dichlorophenyl)-2-phenyl-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-2-phenyl-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-2-phenyl-2-(prop-2-enylamino)acetamide is C=CCNC(C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1.
What is the InChIKey of N-(3,5-dichlorophenyl)-2-phenyl-2-(prop-2-enylamino)acetamide?
The InChIKey is AZGKLVAMKGHVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O/c1-2-8-20-16(12-6-4-3-5-7-12)17(22)21-15-10-13(18)9-14(19)11-15/h2-7,9-11,16,20H,1,8H2,(H,21,22).
What are the key properties of N-(3,5-dichlorophenyl)-2-phenyl-2-(prop-2-enylamino)acetamide?
N-(3,5-dichlorophenyl)-2-phenyl-2-(prop-2-enylamino)acetamide has a molecular weight of 335.23 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-2-phenyl-2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 4883750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).