N-[4-(2-chloroethyl)phenyl]-3-phenylpropanamide

C17H18ClNO — CID 114299237

IUPACN-[4-(2-chloroethyl)phenyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ccc(CCCl)cc1
InChIInChI=1S/C17H18ClNO/c18-13-12-15-6-9-16(10-7-15)19-17(20)11-8-14-4-2-1-3-5-14/h1-7,9-10H,8,11-13H2,(H,19,20)
InChIKeyNGWNCHFNPFNKFG-UHFFFAOYSA-N
MW287.79 g/mol
LogP4.04
Rot. Bonds6

About N-[4-(2-chloroethyl)phenyl]-3-phenylpropanamide

N-[4-(2-chloroethyl)phenyl]-3-phenylpropanamide (PubChem CID 114299237) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is N-[4-(2-chloroethyl)phenyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[4-(2-chloroethyl)phenyl]-3-phenylpropanamide
PubChem CID114299237
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC NameN-[4-(2-chloroethyl)phenyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ccc(CCCl)cc1
InChIInChI=1S/C17H18ClNO/c18-13-12-15-6-9-16(10-7-15)19-17(20)11-8-14-4-2-1-3-5-14/h1-7,9-10H,8,11-13H2,(H,19,20)
InChIKeyNGWNCHFNPFNKFG-UHFFFAOYSA-N
XLogP4.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis[4-(3-phenylpropanoylamino)phenyl]pentanediamide
CID 17233797
N-[4-(2-chloroethyl)phenyl]-3-(3-methylphenyl)propanamide
CID 114299156
N-(4-hydroxyphenyl)-3-phenylpropanamide
CID 836055
3-phenyl-N-[4-(phenylcarbamoylamino)phenyl]propanamide
CID 17233492
4-(3-phenylpropanoylamino)benzamide
CID 675903
4-(3-phenylpropanoylamino)benzoic acid
CID 10492186
N-(4-methylphenyl)-3-phenylpropanamide
CID 778861
N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-3-phenylpropanamide
CID 42643106
N-[4-[(2-anilinoacetyl)amino]phenyl]-3-phenylpropanamide
CID 54810342
N-[4-[[2-(methylamino)acetyl]amino]phenyl]-3-phenylpropanamide
CID 54820849
N-[4-(2-chloroethyl)phenyl]-2-phenoxyacetamide
CID 114299206
3-bromo-N-[4-(2-phenylethyl)phenyl]propanamide
CID 71583388

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chloroethyl)phenyl]-3-phenylpropanamide?
The IUPAC name of N-[4-(2-chloroethyl)phenyl]-3-phenylpropanamide (CID 114299237) is N-[4-(2-chloroethyl)phenyl]-3-phenylpropanamide.
What is the SMILES notation for N-[4-(2-chloroethyl)phenyl]-3-phenylpropanamide?
The canonical SMILES for N-[4-(2-chloroethyl)phenyl]-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1ccc(CCCl)cc1.
What is the InChIKey of N-[4-(2-chloroethyl)phenyl]-3-phenylpropanamide?
The InChIKey is NGWNCHFNPFNKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO/c18-13-12-15-6-9-16(10-7-15)19-17(20)11-8-14-4-2-1-3-5-14/h1-7,9-10H,8,11-13H2,(H,19,20).
What are the key properties of N-[4-(2-chloroethyl)phenyl]-3-phenylpropanamide?
N-[4-(2-chloroethyl)phenyl]-3-phenylpropanamide has a molecular weight of 287.79 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chloroethyl)phenyl]-3-phenylpropanamide is sourced from PubChem (CID 114299237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).