N-but-3-en-2-yl-4-chloro-N-phenylbenzamide

C17H16ClNO — CID 175533632

IUPACN-but-3-en-2-yl-4-chloro-N-phenylbenzamide
SMILESC=CC(C)N(C(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C17H16ClNO/c1-3-13(2)19(16-7-5-4-6-8-16)17(20)14-9-11-15(18)12-10-14/h3-13H,1H2,2H3
InChIKeyZQZCSLHYXROJTB-UHFFFAOYSA-N
MW285.77 g/mol
LogP4.56
Rot. Bonds4

About N-but-3-en-2-yl-4-chloro-N-phenylbenzamide

N-but-3-en-2-yl-4-chloro-N-phenylbenzamide (PubChem CID 175533632) has the molecular formula C17H16ClNO and a molecular weight of 285.77 g/mol. Its IUPAC name is N-but-3-en-2-yl-4-chloro-N-phenylbenzamide.

Molecular Properties

Compound NameN-but-3-en-2-yl-4-chloro-N-phenylbenzamide
PubChem CID175533632
Molecular FormulaC17H16ClNO
Molecular Weight285.77 g/mol
Exact Mass285.09
IUPAC NameN-but-3-en-2-yl-4-chloro-N-phenylbenzamide
SMILESC=CC(C)N(C(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C17H16ClNO/c1-3-13(2)19(16-7-5-4-6-8-16)17(20)14-9-11-15(18)12-10-14/h3-13H,1H2,2H3
InChIKeyZQZCSLHYXROJTB-UHFFFAOYSA-N
XLogP4.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-but-3-en-2-yl]-N-(4-methoxyphenyl)benzamide
CID 12035937
N-[(1S)-1-cyclopropylethyl]-N-phenylbenzamide
CID 6923930
N-(4-chlorophenyl)-2-methyl-N-phenylpropanamide
CID 138899896
4-chloro-N-nitroso-N-phenylbenzamide
CID 134880089
N-(4-chlorophenyl)-N-hydroxybenzamide
CID 15217
(2S)-1-(4-chlorophenyl)-2-methylbut-3-en-1-one
CID 145155044
N-[(1S)-1-cyclopropylethyl]-4-methyl-N-phenylbenzamide
CID 6923903
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[2-[(S)-methylsulfinyl]phenyl]-N-phenylacetamide
CID 100699348
2-amino-4-chloro-N-phenyl-N-propan-2-ylbenzamide
CID 91395635
3-[(4-chlorobenzoyl)-prop-2-enylamino]-2-methylpropanoic acid
CID 82325395
1-[(Z)-1-(4-chlorophenyl)prop-1-enyl]-1,3-dimethyl-3-phenylurea
CID 102415940
N-benzyl-4-chloro-N-phenylbenzamide
CID 20787883

Frequently Asked Questions

What is the IUPAC name of N-but-3-en-2-yl-4-chloro-N-phenylbenzamide?
The IUPAC name of N-but-3-en-2-yl-4-chloro-N-phenylbenzamide (CID 175533632) is N-but-3-en-2-yl-4-chloro-N-phenylbenzamide.
What is the SMILES notation for N-but-3-en-2-yl-4-chloro-N-phenylbenzamide?
The canonical SMILES for N-but-3-en-2-yl-4-chloro-N-phenylbenzamide is C=CC(C)N(C(=O)c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of N-but-3-en-2-yl-4-chloro-N-phenylbenzamide?
The InChIKey is ZQZCSLHYXROJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO/c1-3-13(2)19(16-7-5-4-6-8-16)17(20)14-9-11-15(18)12-10-14/h3-13H,1H2,2H3.
What are the key properties of N-but-3-en-2-yl-4-chloro-N-phenylbenzamide?
N-but-3-en-2-yl-4-chloro-N-phenylbenzamide has a molecular weight of 285.77 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-en-2-yl-4-chloro-N-phenylbenzamide is sourced from PubChem (CID 175533632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).