N-benzyl-3-(4-chlorophenyl)prop-2-enamide

C16H14ClNO — CID 682148

IUPACN-benzyl-3-(4-chlorophenyl)prop-2-enamide
SMILESO=C(C=Cc1ccc(Cl)cc1)NCc1ccccc1
InChIInChI=1S/C16H14ClNO/c17-15-9-6-13(7-10-15)8-11-16(19)18-12-14-4-2-1-3-5-14/h1-11H,12H2,(H,18,19)
InChIKeyWRTBQEWAUMTZSS-UHFFFAOYSA-N
MW271.75 g/mol
LogP3.67
Rot. Bonds4

About N-benzyl-3-(4-chlorophenyl)prop-2-enamide

N-benzyl-3-(4-chlorophenyl)prop-2-enamide (PubChem CID 682148) has the molecular formula C16H14ClNO and a molecular weight of 271.75 g/mol. Its IUPAC name is N-benzyl-3-(4-chlorophenyl)prop-2-enamide.

Molecular Properties

Compound NameN-benzyl-3-(4-chlorophenyl)prop-2-enamide
PubChem CID682148
Molecular FormulaC16H14ClNO
Molecular Weight271.75 g/mol
Exact Mass271.08
IUPAC NameN-benzyl-3-(4-chlorophenyl)prop-2-enamide
SMILESO=C(C=Cc1ccc(Cl)cc1)NCc1ccccc1
InChIInChI=1S/C16H14ClNO/c17-15-9-6-13(7-10-15)8-11-16(19)18-12-14-4-2-1-3-5-14/h1-11H,12H2,(H,18,19)
InChIKeyWRTBQEWAUMTZSS-UHFFFAOYSA-N
XLogP3.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-benzyl-3-(3-chloro-4-fluorophenyl)prop-2-enamide
CID 8713279
(E)-3-(4-aminophenyl)-N-[(4-chlorophenyl)methyl]prop-2-enamide
CID 84555657
(E)-N-[(4-bromophenyl)methyl]-3-(4-chlorophenyl)prop-2-enamide
CID 63529144
3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)prop-2-enamide
CID 895858
3-(4-chlorophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]prop-2-enamide
CID 76990323
(E)-N-benzyl-3-(3,4-dichlorophenyl)prop-2-enamide
CID 898158
(E)-3-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 847396
3-(4-chlorophenyl)-N-(3-phenylpropyl)prop-2-enamide
CID 2931567
3-(3-chlorophenyl)-N-[(4-chlorophenyl)methyl]prop-2-enamide
CID 896013
(E)-3-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]prop-2-enamide
CID 7921016
(E)-N-benzyl-3-[4-(2-methylpropyl)phenyl]prop-2-enamide
CID 6019548
N-benzyl-4-[2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioyl]hydrazinyl]-4-oxobutanamide
CID 17195877

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(4-chlorophenyl)prop-2-enamide?
The IUPAC name of N-benzyl-3-(4-chlorophenyl)prop-2-enamide (CID 682148) is N-benzyl-3-(4-chlorophenyl)prop-2-enamide.
What is the SMILES notation for N-benzyl-3-(4-chlorophenyl)prop-2-enamide?
The canonical SMILES for N-benzyl-3-(4-chlorophenyl)prop-2-enamide is O=C(C=Cc1ccc(Cl)cc1)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-(4-chlorophenyl)prop-2-enamide?
The InChIKey is WRTBQEWAUMTZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO/c17-15-9-6-13(7-10-15)8-11-16(19)18-12-14-4-2-1-3-5-14/h1-11H,12H2,(H,18,19).
What are the key properties of N-benzyl-3-(4-chlorophenyl)prop-2-enamide?
N-benzyl-3-(4-chlorophenyl)prop-2-enamide has a molecular weight of 271.75 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(4-chlorophenyl)prop-2-enamide is sourced from PubChem (CID 682148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).