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

C18H21ClN2O — CID 109019248

IUPACN-[(2-chlorophenyl)methyl]-3-[(2-methylphenyl)methylamino]propanamide
SMILESCc1ccccc1CNCCC(=O)NCc1ccccc1Cl
InChIInChI=1S/C18H21ClN2O/c1-14-6-2-3-7-15(14)12-20-11-10-18(22)21-13-16-8-4-5-9-17(16)19/h2-9,20H,10-13H2,1H3,(H,21,22)
InChIKeyPTUJJIMUKAJDDU-UHFFFAOYSA-N
MW316.83 g/mol
LogP3.44
Rot. Bonds7

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

N-[(2-chlorophenyl)methyl]-3-[(2-methylphenyl)methylamino]propanamide (PubChem CID 109019248) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-[(2-methylphenyl)methylamino]propanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-[(2-methylphenyl)methylamino]propanamide
PubChem CID109019248
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC NameN-[(2-chlorophenyl)methyl]-3-[(2-methylphenyl)methylamino]propanamide
SMILESCc1ccccc1CNCCC(=O)NCc1ccccc1Cl
InChIInChI=1S/C18H21ClN2O/c1-14-6-2-3-7-15(14)12-20-11-10-18(22)21-13-16-8-4-5-9-17(16)19/h2-9,20H,10-13H2,1H3,(H,21,22)
InChIKeyPTUJJIMUKAJDDU-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
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-chloro-N-[3-[(2-methylphenyl)methylamino]-3-oxopropyl]benzamide
CID 9104877
N-[(2-chlorophenyl)methyl]-3-[(3-methylphenyl)methylamino]propanamide
CID 109019580
1-[2-(2-chlorophenyl)ethyl]-3-[(2-methylphenyl)methyl]urea
CID 60595877
2-chloro-N-[(2-methylphenyl)methyl]acetamide
CID 9291148
N-[(2-chlorophenyl)methyl]-4-oxopentanamide
CID 60636911
N-[(2-chlorophenyl)methyl]-3-(2-methylphenoxy)propanamide
CID 7973168
N-[(2-chlorophenyl)methyl]-3-(furan-2-ylmethylamino)propanamide
CID 109018586
N-[(2-methylphenyl)methyl]-2-[(2-methylphenyl)methylamino]acetamide
CID 108996489
3-chloro-N-[(2-chlorophenyl)methyl]propanamide
CID 17126907
N-(2,6-dimethylphenyl)-3-[(2-methylphenyl)methylamino]propanamide
CID 109019316
N-(2,4-dichlorophenyl)-3-[(2-methylphenyl)methylamino]propanamide
CID 109019394
N-[(2-methylphenyl)methyl]-3-(pyridin-3-ylmethylamino)propanamide
CID 109019088

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-[(2-methylphenyl)methylamino]propanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-[(2-methylphenyl)methylamino]propanamide (CID 109019248) is N-[(2-chlorophenyl)methyl]-3-[(2-methylphenyl)methylamino]propanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-[(2-methylphenyl)methylamino]propanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-[(2-methylphenyl)methylamino]propanamide is Cc1ccccc1CNCCC(=O)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-[(2-methylphenyl)methylamino]propanamide?
The InChIKey is PTUJJIMUKAJDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O/c1-14-6-2-3-7-15(14)12-20-11-10-18(22)21-13-16-8-4-5-9-17(16)19/h2-9,20H,10-13H2,1H3,(H,21,22).
What are the key properties of N-[(2-chlorophenyl)methyl]-3-[(2-methylphenyl)methylamino]propanamide?
N-[(2-chlorophenyl)methyl]-3-[(2-methylphenyl)methylamino]propanamide has a molecular weight of 316.83 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-[(2-methylphenyl)methylamino]propanamide is sourced from PubChem (CID 109019248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).