N-(3-chloro-2-methylphenyl)-2-(3-phenylpropylamino)acetamide

C18H21ClN2O — CID 109005057

IUPACN-(3-chloro-2-methylphenyl)-2-(3-phenylpropylamino)acetamide
SMILESCc1c(Cl)cccc1NC(=O)CNCCCc1ccccc1
InChIInChI=1S/C18H21ClN2O/c1-14-16(19)10-5-11-17(14)21-18(22)13-20-12-6-9-15-7-3-2-4-8-15/h2-5,7-8,10-11,20H,6,9,12-13H2,1H3,(H,21,22)
InChIKeyHUPXLGHAHSZDPS-UHFFFAOYSA-N
MW316.83 g/mol
LogP3.81
Rot. Bonds7

About N-(3-chloro-2-methylphenyl)-2-(3-phenylpropylamino)acetamide

N-(3-chloro-2-methylphenyl)-2-(3-phenylpropylamino)acetamide (PubChem CID 109005057) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-(3-phenylpropylamino)acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-(3-phenylpropylamino)acetamide
PubChem CID109005057
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC NameN-(3-chloro-2-methylphenyl)-2-(3-phenylpropylamino)acetamide
SMILESCc1c(Cl)cccc1NC(=O)CNCCCc1ccccc1
InChIInChI=1S/C18H21ClN2O/c1-14-16(19)10-5-11-17(14)21-18(22)13-20-12-6-9-15-7-3-2-4-8-15/h2-5,7-8,10-11,20H,6,9,12-13H2,1H3,(H,21,22)
InChIKeyHUPXLGHAHSZDPS-UHFFFAOYSA-N
XLogP3.81
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]acetic acid
CID 43466013
N'-(3-chloro-2-methylphenyl)-N-(4-phenylbutyl)oxamide
CID 4607386
2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-N-(2-phenylethyl)benzamide
CID 9103398
N-(2-chloro-4,6-dimethylphenyl)-2-(3-phenylpropylamino)acetamide
CID 109005062
N,N'-bis(3-chloro-2-methylphenyl)hexanediamide
CID 4050802
N-(4-acetamidophenyl)-2-(3-phenylpropylamino)acetamide
CID 109005083
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
N-(3-chloro-2-methylphenyl)-N'-(2,6-dichlorophenyl)propanediamide
CID 108955128
N,N'-bis(3-chloro-2-methylphenyl)decanediamide
CID 17080098
N-(3-chloro-2-methylphenyl)-3-(pentylamino)propanamide
CID 109032256
6-(3-chloro-2-methylanilino)-6-oxohexanoic acid
CID 43529460
N-(3-chloro-2-methylphenyl)-2-[2-(cyclohexen-1-yl)ethylamino]acetamide
CID 54815757

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-(3-phenylpropylamino)acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-(3-phenylpropylamino)acetamide (CID 109005057) is N-(3-chloro-2-methylphenyl)-2-(3-phenylpropylamino)acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-(3-phenylpropylamino)acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-(3-phenylpropylamino)acetamide is Cc1c(Cl)cccc1NC(=O)CNCCCc1ccccc1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-(3-phenylpropylamino)acetamide?
The InChIKey is HUPXLGHAHSZDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O/c1-14-16(19)10-5-11-17(14)21-18(22)13-20-12-6-9-15-7-3-2-4-8-15/h2-5,7-8,10-11,20H,6,9,12-13H2,1H3,(H,21,22).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-(3-phenylpropylamino)acetamide?
N-(3-chloro-2-methylphenyl)-2-(3-phenylpropylamino)acetamide has a molecular weight of 316.83 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-(3-phenylpropylamino)acetamide is sourced from PubChem (CID 109005057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).