N-[4-(2-chloroethyl)phenyl]-3-(3-methylphenyl)propanamide

C18H20ClNO — CID 114299156

IUPACN-[4-(2-chloroethyl)phenyl]-3-(3-methylphenyl)propanamide
SMILESCc1cccc(CCC(=O)Nc2ccc(CCCl)cc2)c1
InChIInChI=1S/C18H20ClNO/c1-14-3-2-4-16(13-14)7-10-18(21)20-17-8-5-15(6-9-17)11-12-19/h2-6,8-9,13H,7,10-12H2,1H3,(H,20,21)
InChIKeyNOXLODVCYKYENV-UHFFFAOYSA-N
MW301.82 g/mol
LogP4.35
Rot. Bonds6

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

N-[4-(2-chloroethyl)phenyl]-3-(3-methylphenyl)propanamide (PubChem CID 114299156) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is N-[4-(2-chloroethyl)phenyl]-3-(3-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[4-(2-chloroethyl)phenyl]-3-(3-methylphenyl)propanamide
PubChem CID114299156
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC NameN-[4-(2-chloroethyl)phenyl]-3-(3-methylphenyl)propanamide
SMILESCc1cccc(CCC(=O)Nc2ccc(CCCl)cc2)c1
InChIInChI=1S/C18H20ClNO/c1-14-3-2-4-16(13-14)7-10-18(21)20-17-8-5-15(6-9-17)11-12-19/h2-6,8-9,13H,7,10-12H2,1H3,(H,20,21)
InChIKeyNOXLODVCYKYENV-UHFFFAOYSA-N
XLogP4.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 54.35
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-[4-(2-chloroethyl)phenyl]-3-phenylpropanamide
CID 114299237
N-[4-[(2-cyanoacetyl)amino]phenyl]-3-(3-methylphenyl)propanamide
CID 108922603
N-(4-carbamothioylphenyl)-3-(3-methylphenyl)propanamide
CID 62365344
N-(3,5-dichloro-4-hydroxyphenyl)-3-(3-methylphenyl)propanamide
CID 82881123
N,3-bis(4-methylphenyl)propanamide
CID 19220434
N-(3-amino-4-methylphenyl)-3-(3-methylphenyl)propanamide
CID 62058474
N-[3-(chloromethyl)phenyl]-3-(4-methylphenyl)propanamide
CID 114293248
N-(4-methylphenyl)-3-phenylpropanamide
CID 778861
N-(3,5-dimethoxyphenyl)-3-(3-methylphenyl)propanamide
CID 51276940
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methylphenyl)propanamide
CID 51276703
N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-(3-methylphenyl)propanamide
CID 110673093
3-(3-methylphenyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 122286611

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chloroethyl)phenyl]-3-(3-methylphenyl)propanamide?
The IUPAC name of N-[4-(2-chloroethyl)phenyl]-3-(3-methylphenyl)propanamide (CID 114299156) is N-[4-(2-chloroethyl)phenyl]-3-(3-methylphenyl)propanamide.
What is the SMILES notation for N-[4-(2-chloroethyl)phenyl]-3-(3-methylphenyl)propanamide?
The canonical SMILES for N-[4-(2-chloroethyl)phenyl]-3-(3-methylphenyl)propanamide is Cc1cccc(CCC(=O)Nc2ccc(CCCl)cc2)c1.
What is the InChIKey of N-[4-(2-chloroethyl)phenyl]-3-(3-methylphenyl)propanamide?
The InChIKey is NOXLODVCYKYENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO/c1-14-3-2-4-16(13-14)7-10-18(21)20-17-8-5-15(6-9-17)11-12-19/h2-6,8-9,13H,7,10-12H2,1H3,(H,20,21).
What are the key properties of N-[4-(2-chloroethyl)phenyl]-3-(3-methylphenyl)propanamide?
N-[4-(2-chloroethyl)phenyl]-3-(3-methylphenyl)propanamide has a molecular weight of 301.82 g/mol, XLogP of 4.35, 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-(3-methylphenyl)propanamide is sourced from PubChem (CID 114299156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).