(E)-N-[4-(chloromethyl)phenyl]-7-phenylhept-6-enamide

C20H22ClNO — CID 174957132

IUPAC(E)-N-[4-(chloromethyl)phenyl]-7-phenylhept-6-enamide
SMILESO=C(CCCC/C=C/c1ccccc1)Nc1ccc(CCl)cc1
InChIInChI=1S/C20H22ClNO/c21-16-18-12-14-19(15-13-18)22-20(23)11-7-2-1-4-8-17-9-5-3-6-10-17/h3-6,8-10,12-15H,1-2,7,11,16H2,(H,22,23)/b8-4+
InChIKeyKFBZUAZHAXQUFL-XBXARRHUSA-N
MW327.86 g/mol
LogP5.64
Rot. Bonds8

About (E)-N-[4-(chloromethyl)phenyl]-7-phenylhept-6-enamide

(E)-N-[4-(chloromethyl)phenyl]-7-phenylhept-6-enamide (PubChem CID 174957132) has the molecular formula C20H22ClNO and a molecular weight of 327.86 g/mol. Its IUPAC name is (E)-N-[4-(chloromethyl)phenyl]-7-phenylhept-6-enamide.

Molecular Properties

Compound Name(E)-N-[4-(chloromethyl)phenyl]-7-phenylhept-6-enamide
PubChem CID174957132
Molecular FormulaC20H22ClNO
Molecular Weight327.86 g/mol
Exact Mass327.14
IUPAC Name(E)-N-[4-(chloromethyl)phenyl]-7-phenylhept-6-enamide
SMILESO=C(CCCC/C=C/c1ccccc1)Nc1ccc(CCl)cc1
InChIInChI=1S/C20H22ClNO/c21-16-18-12-14-19(15-13-18)22-20(23)11-7-2-1-4-8-17-9-5-3-6-10-17/h3-6,8-10,12-15H,1-2,7,11,16H2,(H,22,23)/b8-4+
InChIKeyKFBZUAZHAXQUFL-XBXARRHUSA-N
XLogP5.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.86
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[4-(chloromethyl)phenyl]-3-phenylprop-2-enamide
CID 11231080
N-[4-(chloromethyl)phenyl]pentanamide
CID 86032460
N-[4-[(E)-2-phenylethenyl]phenyl]dodecanamide
CID 127035783
N-[4-(4-bromobut-1-enyl)phenyl]-3-chloropropanamide
CID 170498333
N-[4-(4-aminobut-1-enyl)phenyl]-3-chloropropanamide
CID 170487803
(E)-1,7-diphenylhept-6-en-1-one
CID 5369755
(Z)-N-phenyloctadec-9-enamide
CID 5354590
N-phenyldocos-13-enamide
CID 54224492
6-oxo-N-phenylhexanamide
CID 19422082
(Z)-N-(2-methylpropyl)-7-phenylhept-6-enamide
CID 70372311
(E)-N-[3-(hydroxymethyl)phenyl]-5-phenylpent-4-enamide
CID 111437309
1-[4-(chloromethyl)phenyl]-3-phenylurea
CID 15895595

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(chloromethyl)phenyl]-7-phenylhept-6-enamide?
The IUPAC name of (E)-N-[4-(chloromethyl)phenyl]-7-phenylhept-6-enamide (CID 174957132) is (E)-N-[4-(chloromethyl)phenyl]-7-phenylhept-6-enamide.
What is the SMILES notation for (E)-N-[4-(chloromethyl)phenyl]-7-phenylhept-6-enamide?
The canonical SMILES for (E)-N-[4-(chloromethyl)phenyl]-7-phenylhept-6-enamide is O=C(CCCC/C=C/c1ccccc1)Nc1ccc(CCl)cc1.
What is the InChIKey of (E)-N-[4-(chloromethyl)phenyl]-7-phenylhept-6-enamide?
The InChIKey is KFBZUAZHAXQUFL-XBXARRHUSA-N. The full InChI is InChI=1S/C20H22ClNO/c21-16-18-12-14-19(15-13-18)22-20(23)11-7-2-1-4-8-17-9-5-3-6-10-17/h3-6,8-10,12-15H,1-2,7,11,16H2,(H,22,23)/b8-4+.
What are the key properties of (E)-N-[4-(chloromethyl)phenyl]-7-phenylhept-6-enamide?
(E)-N-[4-(chloromethyl)phenyl]-7-phenylhept-6-enamide has a molecular weight of 327.86 g/mol, XLogP of 5.64, 8 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]-7-phenylhept-6-enamide is sourced from PubChem (CID 174957132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).