3-[benzyl(methyl)amino]-N-[(3-chlorophenyl)methyl]propanamide

C18H21ClN2O — CID 118607410

IUPAC3-[benzyl(methyl)amino]-N-[(3-chlorophenyl)methyl]propanamide
SMILESCN(CCC(=O)NCc1cccc(Cl)c1)Cc1ccccc1
InChIInChI=1S/C18H21ClN2O/c1-21(14-15-6-3-2-4-7-15)11-10-18(22)20-13-16-8-5-9-17(19)12-16/h2-9,12H,10-11,13-14H2,1H3,(H,20,22)
InChIKeyNNBBXKVJHREHOC-UHFFFAOYSA-N
MW316.83 g/mol
LogP3.48
Rot. Bonds7

About 3-[benzyl(methyl)amino]-N-[(3-chlorophenyl)methyl]propanamide

3-[benzyl(methyl)amino]-N-[(3-chlorophenyl)methyl]propanamide (PubChem CID 118607410) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is 3-[benzyl(methyl)amino]-N-[(3-chlorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[benzyl(methyl)amino]-N-[(3-chlorophenyl)methyl]propanamide
PubChem CID118607410
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC Name3-[benzyl(methyl)amino]-N-[(3-chlorophenyl)methyl]propanamide
SMILESCN(CCC(=O)NCc1cccc(Cl)c1)Cc1ccccc1
InChIInChI=1S/C18H21ClN2O/c1-21(14-15-6-3-2-4-7-15)11-10-18(22)20-13-16-8-5-9-17(19)12-16/h2-9,12H,10-11,13-14H2,1H3,(H,20,22)
InChIKeyNNBBXKVJHREHOC-UHFFFAOYSA-N
XLogP3.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[benzyl(methyl)amino]-N-(3-chlorophenyl)propanamide;oxalic acid
CID 171154533
3-bromo-N-[(3-chlorophenyl)methyl]propanamide
CID 82109966
3-[(3-chlorophenyl)methylcarbamoyl-methylamino]propanoic acid
CID 62532266
N-benzyl-2-[(3,5-dichlorophenyl)methyl-methylamino]acetamide
CID 52683480
N-[(3-chlorophenyl)methyl]propanamide
CID 17071125
3-[(3-chlorophenyl)methyl]-1-methyl-1-phenylurea
CID 110301228
1-benzyl-3-[(3-chlorophenyl)methyl]-1-ethylurea
CID 110301185
4-chloro-N-[(3-chlorophenyl)methyl]butanamide
CID 17071148
N-[(3-chlorophenyl)methyl]-3-[[(2S)-1,4-dioxan-2-yl]methyl-methylamino]propanamide
CID 124750493
3-[benzyl(methyl)amino]-N-(2,4-dichlorophenyl)propanamide
CID 109020669
N-benzyl-2-[(3-chlorophenyl)methyl-ethylamino]acetamide
CID 52682333
3-[benzyl(methyl)amino]-N-(4-chlorophenyl)propanamide
CID 882844

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(methyl)amino]-N-[(3-chlorophenyl)methyl]propanamide?
The IUPAC name of 3-[benzyl(methyl)amino]-N-[(3-chlorophenyl)methyl]propanamide (CID 118607410) is 3-[benzyl(methyl)amino]-N-[(3-chlorophenyl)methyl]propanamide.
What is the SMILES notation for 3-[benzyl(methyl)amino]-N-[(3-chlorophenyl)methyl]propanamide?
The canonical SMILES for 3-[benzyl(methyl)amino]-N-[(3-chlorophenyl)methyl]propanamide is CN(CCC(=O)NCc1cccc(Cl)c1)Cc1ccccc1.
What is the InChIKey of 3-[benzyl(methyl)amino]-N-[(3-chlorophenyl)methyl]propanamide?
The InChIKey is NNBBXKVJHREHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O/c1-21(14-15-6-3-2-4-7-15)11-10-18(22)20-13-16-8-5-9-17(19)12-16/h2-9,12H,10-11,13-14H2,1H3,(H,20,22).
What are the key properties of 3-[benzyl(methyl)amino]-N-[(3-chlorophenyl)methyl]propanamide?
3-[benzyl(methyl)amino]-N-[(3-chlorophenyl)methyl]propanamide has a molecular weight of 316.83 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(methyl)amino]-N-[(3-chlorophenyl)methyl]propanamide is sourced from PubChem (CID 118607410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).