(E)-N-[4-(chloromethyl)phenyl]-3-phenylprop-2-enamide

C16H14ClNO — CID 11231080

IUPAC(E)-N-[4-(chloromethyl)phenyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1ccc(CCl)cc1
InChIInChI=1S/C16H14ClNO/c17-12-14-6-9-15(10-7-14)18-16(19)11-8-13-4-2-1-3-5-13/h1-11H,12H2,(H,18,19)/b11-8+
InChIKeyNRHTYUCBEBHZDZ-DHZHZOJOSA-N
MW271.75 g/mol
LogP4.08
Rot. Bonds4

About (E)-N-[4-(chloromethyl)phenyl]-3-phenylprop-2-enamide

(E)-N-[4-(chloromethyl)phenyl]-3-phenylprop-2-enamide (PubChem CID 11231080) has the molecular formula C16H14ClNO and a molecular weight of 271.75 g/mol. Its IUPAC name is (E)-N-[4-(chloromethyl)phenyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(chloromethyl)phenyl]-3-phenylprop-2-enamide
PubChem CID11231080
Molecular FormulaC16H14ClNO
Molecular Weight271.75 g/mol
Exact Mass271.08
IUPAC Name(E)-N-[4-(chloromethyl)phenyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1ccc(CCl)cc1
InChIInChI=1S/C16H14ClNO/c17-12-14-6-9-15(10-7-14)18-16(19)11-8-13-4-2-1-3-5-13/h1-11H,12H2,(H,18,19)/b11-8+
InChIKeyNRHTYUCBEBHZDZ-DHZHZOJOSA-N
XLogP4.08
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 ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-phenyl-N-[4-[(2-phenylacetyl)amino]phenyl]prop-2-enamide
CID 17102397
(E)-N,3-diphenylprop-2-enamide;ethane
CID 123527291
(E)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-phenylprop-2-enamide
CID 950916
(Z)-N-[4-(imidazol-1-ylmethyl)phenyl]-3-phenylprop-2-enamide
CID 69488579
[4-(3-phenylprop-2-enoylamino)phenyl] 3-phenylprop-2-enoate
CID 1234500
(E)-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-phenylprop-2-enamide
CID 35332007
(E)-N-[4-(chloromethyl)phenyl]-7-phenylhept-6-enamide
CID 174957132
1-[4-(chloromethyl)phenyl]-3-phenylurea
CID 15895595
(Z)-N-(4-nitrophenyl)-3-phenylprop-2-enamide
CID 92909984
(2E,5E)-4-oxo-N,6-diphenylhexa-2,5-dienamide
CID 59467578
(E)-N-[4-(4-benzylpiperazin-1-yl)phenyl]-3-phenylprop-2-enamide
CID 1128763
N-[4-(benzylsulfamoyl)phenyl]-3-phenylprop-2-enamide
CID 4928891

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(chloromethyl)phenyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[4-(chloromethyl)phenyl]-3-phenylprop-2-enamide (CID 11231080) is (E)-N-[4-(chloromethyl)phenyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[4-(chloromethyl)phenyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[4-(chloromethyl)phenyl]-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)Nc1ccc(CCl)cc1.
What is the InChIKey of (E)-N-[4-(chloromethyl)phenyl]-3-phenylprop-2-enamide?
The InChIKey is NRHTYUCBEBHZDZ-DHZHZOJOSA-N. The full InChI is InChI=1S/C16H14ClNO/c17-12-14-6-9-15(10-7-14)18-16(19)11-8-13-4-2-1-3-5-13/h1-11H,12H2,(H,18,19)/b11-8+.
What are the key properties of (E)-N-[4-(chloromethyl)phenyl]-3-phenylprop-2-enamide?
(E)-N-[4-(chloromethyl)phenyl]-3-phenylprop-2-enamide has a molecular weight of 271.75 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(chloromethyl)phenyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 11231080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).