N-[3-[(2-chlorophenyl)methylamino]-4-methylphenyl]propanamide

C17H19ClN2O — CID 43677249

IUPACN-[3-[(2-chlorophenyl)methylamino]-4-methylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(C)c(NCc2ccccc2Cl)c1
InChIInChI=1S/C17H19ClN2O/c1-3-17(21)20-14-9-8-12(2)16(10-14)19-11-13-6-4-5-7-15(13)18/h4-10,19H,3,11H2,1-2H3,(H,20,21)
InChIKeyDLTZILXNRSZUHA-UHFFFAOYSA-N
MW302.81 g/mol
LogP4.61
Rot. Bonds5

About N-[3-[(2-chlorophenyl)methylamino]-4-methylphenyl]propanamide

N-[3-[(2-chlorophenyl)methylamino]-4-methylphenyl]propanamide (PubChem CID 43677249) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is N-[3-[(2-chlorophenyl)methylamino]-4-methylphenyl]propanamide.

Molecular Properties

Compound NameN-[3-[(2-chlorophenyl)methylamino]-4-methylphenyl]propanamide
PubChem CID43677249
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC NameN-[3-[(2-chlorophenyl)methylamino]-4-methylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(C)c(NCc2ccccc2Cl)c1
InChIInChI=1S/C17H19ClN2O/c1-3-17(21)20-14-9-8-12(2)16(10-14)19-11-13-6-4-5-7-15(13)18/h4-10,19H,3,11H2,1-2H3,(H,20,21)
InChIKeyDLTZILXNRSZUHA-UHFFFAOYSA-N
XLogP4.61
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[(2-hydroxyphenyl)methylamino]-4-methylphenyl]propanamide
CID 43677282
N-[3-[(2-bromophenyl)methylamino]-4-methylphenyl]propanamide
CID 43677290
N-[3-[(2-bromophenyl)methylamino]-4-chlorophenyl]propanamide
CID 43679084
N-[4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]phenyl]propanamide
CID 54835495
N-[(2-chlorophenyl)methyl]-N'-(3,4-dimethylphenyl)propanediamide
CID 108946594
N-[3-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-4-methylphenyl]propanamide
CID 102831933
N-(3-amino-4-methylphenyl)-2-(2-chlorophenyl)acetamide
CID 24694774
N-[3-[[5-(hydroxymethyl)furan-2-yl]methylamino]-4-methylphenyl]propanamide
CID 64579578
N-[(2-chlorophenyl)methyl]-3-ethyl-4-methylaniline
CID 114250155
5-bromo-N-[(2-chlorophenyl)methyl]-2-methylaniline
CID 43729443
N-[3-[(2-methylphenyl)methylamino]phenyl]propanamide
CID 28661897
N-[4-methyl-3-(3-methylbutylamino)phenyl]propanamide
CID 43677281

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-chlorophenyl)methylamino]-4-methylphenyl]propanamide?
The IUPAC name of N-[3-[(2-chlorophenyl)methylamino]-4-methylphenyl]propanamide (CID 43677249) is N-[3-[(2-chlorophenyl)methylamino]-4-methylphenyl]propanamide.
What is the SMILES notation for N-[3-[(2-chlorophenyl)methylamino]-4-methylphenyl]propanamide?
The canonical SMILES for N-[3-[(2-chlorophenyl)methylamino]-4-methylphenyl]propanamide is CCC(=O)Nc1ccc(C)c(NCc2ccccc2Cl)c1.
What is the InChIKey of N-[3-[(2-chlorophenyl)methylamino]-4-methylphenyl]propanamide?
The InChIKey is DLTZILXNRSZUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-3-17(21)20-14-9-8-12(2)16(10-14)19-11-13-6-4-5-7-15(13)18/h4-10,19H,3,11H2,1-2H3,(H,20,21).
What are the key properties of N-[3-[(2-chlorophenyl)methylamino]-4-methylphenyl]propanamide?
N-[3-[(2-chlorophenyl)methylamino]-4-methylphenyl]propanamide has a molecular weight of 302.81 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-chlorophenyl)methylamino]-4-methylphenyl]propanamide is sourced from PubChem (CID 43677249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).