3-amino-N-[(4-chlorophenyl)methyl]-N-methylpropanamide

C11H15ClN2O — CID 39246978

IUPAC3-amino-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)CCN
InChIInChI=1S/C11H15ClN2O/c1-14(11(15)6-7-13)8-9-2-4-10(12)5-3-9/h2-5H,6-8,13H2,1H3
InChIKeyCOQPDDQDZSLBOV-UHFFFAOYSA-N
MW226.71 g/mol
LogP1.65
Rot. Bonds4

About 3-amino-N-[(4-chlorophenyl)methyl]-N-methylpropanamide

3-amino-N-[(4-chlorophenyl)methyl]-N-methylpropanamide (PubChem CID 39246978) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 3-amino-N-[(4-chlorophenyl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-amino-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
PubChem CID39246978
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name3-amino-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)CCN
InChIInChI=1S/C11H15ClN2O/c1-14(11(15)6-7-13)8-9-2-4-10(12)5-3-9/h2-5H,6-8,13H2,1H3
InChIKeyCOQPDDQDZSLBOV-UHFFFAOYSA-N
XLogP1.65
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
CID 100590851
3-amino-N-[(4-fluorophenyl)methyl]-N-methylpropanamide
CID 39242618
3-amino-N-[(3-chloro-4-fluorophenyl)methyl]-N-methylpropanamide
CID 115152939
3-amino-N-[(4-chlorophenyl)methyl]-N-ethylpropanamide
CID 92931902
4-amino-N-[(4-chlorophenyl)methyl]-N,3,3-trimethylbutanamide
CID 115157372
3-[(4-chlorophenyl)methyl-methylamino]-3-oxopropanoic acid
CID 62231249
2-amino-N-[2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethyl]acetamide
CID 60939022
N-[(4-chlorophenyl)methyl]-3-(furan-2-yl)-N-methylpropanamide
CID 78768756
N-[(4-chlorophenyl)methyl]-N-methyl-2-methylsulfanylacetamide
CID 112790205
N-[(4-chlorophenyl)methyl]-N-methyl-3,3-diphenylpropanamide
CID 43909696
3-amino-N-methyl-N-(naphthalen-2-ylmethyl)propanamide;hydrochloride
CID 119270375
3-amino-N-butan-2-yl-N-[(4-chlorophenyl)methyl]propanamide
CID 112501851

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-chlorophenyl)methyl]-N-methylpropanamide?
The IUPAC name of 3-amino-N-[(4-chlorophenyl)methyl]-N-methylpropanamide (CID 39246978) is 3-amino-N-[(4-chlorophenyl)methyl]-N-methylpropanamide.
What is the SMILES notation for 3-amino-N-[(4-chlorophenyl)methyl]-N-methylpropanamide?
The canonical SMILES for 3-amino-N-[(4-chlorophenyl)methyl]-N-methylpropanamide is CN(Cc1ccc(Cl)cc1)C(=O)CCN.
What is the InChIKey of 3-amino-N-[(4-chlorophenyl)methyl]-N-methylpropanamide?
The InChIKey is COQPDDQDZSLBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-14(11(15)6-7-13)8-9-2-4-10(12)5-3-9/h2-5H,6-8,13H2,1H3.
What are the key properties of 3-amino-N-[(4-chlorophenyl)methyl]-N-methylpropanamide?
3-amino-N-[(4-chlorophenyl)methyl]-N-methylpropanamide has a molecular weight of 226.71 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4-chlorophenyl)methyl]-N-methylpropanamide is sourced from PubChem (CID 39246978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).