N-(5-chloro-2-methylphenyl)-3-[(3-methylphenyl)methylamino]propanamide

C18H21ClN2O — CID 109019666

IUPACN-(5-chloro-2-methylphenyl)-3-[(3-methylphenyl)methylamino]propanamide
SMILESCc1cccc(CNCCC(=O)Nc2cc(Cl)ccc2C)c1
InChIInChI=1S/C18H21ClN2O/c1-13-4-3-5-15(10-13)12-20-9-8-18(22)21-17-11-16(19)7-6-14(17)2/h3-7,10-11,20H,8-9,12H2,1-2H3,(H,21,22)
InChIKeyNMONDNGMOIZAGB-UHFFFAOYSA-N
MW316.83 g/mol
LogP4.08
Rot. Bonds6

About N-(5-chloro-2-methylphenyl)-3-[(3-methylphenyl)methylamino]propanamide

N-(5-chloro-2-methylphenyl)-3-[(3-methylphenyl)methylamino]propanamide (PubChem CID 109019666) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-3-[(3-methylphenyl)methylamino]propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-3-[(3-methylphenyl)methylamino]propanamide
PubChem CID109019666
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC NameN-(5-chloro-2-methylphenyl)-3-[(3-methylphenyl)methylamino]propanamide
SMILESCc1cccc(CNCCC(=O)Nc2cc(Cl)ccc2C)c1
InChIInChI=1S/C18H21ClN2O/c1-13-4-3-5-15(10-13)12-20-9-8-18(22)21-17-11-16(19)7-6-14(17)2/h3-7,10-11,20H,8-9,12H2,1-2H3,(H,21,22)
InChIKeyNMONDNGMOIZAGB-UHFFFAOYSA-N
XLogP4.08
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 54.08
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

N-(3-chlorophenyl)-3-[(3-methylphenyl)methylamino]propanamide
CID 109019663
3-[(4-chlorophenyl)methylamino]-N-(2,5-dimethylphenyl)propanamide
CID 109021847
N-(3,4-dichlorophenyl)-3-[(3-methylphenyl)methylamino]propanamide
CID 109019724
N-(3,4-difluorophenyl)-3-[(3-methylphenyl)methylamino]propanamide
CID 109019740
N-[2-(3-chlorophenyl)ethyl]-3-[(3-methylphenyl)methylamino]propanamide
CID 109019632
3-[(3-methylphenyl)methylamino]-N-(2-propan-2-ylphenyl)propanamide
CID 109019653
3-(5-chloro-2-methylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 109035268
5-chloro-2-methyl-N-[(3-methylphenyl)methyl]aniline
CID 28553559
N-(2,4-dimethoxyphenyl)-3-[(3-methylphenyl)methylamino]propanamide
CID 109019684
N-(5-chloro-2-methylphenyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 9266419
N-(2-amino-5-chlorophenyl)-3-(3-methylphenyl)propanamide
CID 62366718
N-(3-acetylphenyl)-3-[(3-methylphenyl)methylamino]propanamide
CID 109019689

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-3-[(3-methylphenyl)methylamino]propanamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-3-[(3-methylphenyl)methylamino]propanamide (CID 109019666) is N-(5-chloro-2-methylphenyl)-3-[(3-methylphenyl)methylamino]propanamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-3-[(3-methylphenyl)methylamino]propanamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-3-[(3-methylphenyl)methylamino]propanamide is Cc1cccc(CNCCC(=O)Nc2cc(Cl)ccc2C)c1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-3-[(3-methylphenyl)methylamino]propanamide?
The InChIKey is NMONDNGMOIZAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O/c1-13-4-3-5-15(10-13)12-20-9-8-18(22)21-17-11-16(19)7-6-14(17)2/h3-7,10-11,20H,8-9,12H2,1-2H3,(H,21,22).
What are the key properties of N-(5-chloro-2-methylphenyl)-3-[(3-methylphenyl)methylamino]propanamide?
N-(5-chloro-2-methylphenyl)-3-[(3-methylphenyl)methylamino]propanamide has a molecular weight of 316.83 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-3-[(3-methylphenyl)methylamino]propanamide is sourced from PubChem (CID 109019666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).