3-amino-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide

C12H17ClN2O — CID 60938834

IUPAC3-amino-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide
SMILESCCN(Cc1ccccc1Cl)C(=O)CCN
InChIInChI=1S/C12H17ClN2O/c1-2-15(12(16)7-8-14)9-10-5-3-4-6-11(10)13/h3-6H,2,7-9,14H2,1H3
InChIKeyTUUJIQKUOMUOTP-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.04
Rot. Bonds5

About 3-amino-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide

3-amino-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide (PubChem CID 60938834) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 3-amino-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide.

Molecular Properties

Compound Name3-amino-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide
PubChem CID60938834
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name3-amino-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide
SMILESCCN(Cc1ccccc1Cl)C(=O)CCN
InChIInChI=1S/C12H17ClN2O/c1-2-15(12(16)7-8-14)9-10-5-3-4-6-11(10)13/h3-6H,2,7-9,14H2,1H3
InChIKeyTUUJIQKUOMUOTP-UHFFFAOYSA-N
XLogP2.04
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[(2-chlorophenyl)methyl]-N-ethylbutanamide
CID 63308077
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N-[(2-chlorophenyl)methyl]-N-ethyl-3-thiophen-2-ylpropanamide
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3-amino-N-[(4-chlorophenyl)methyl]-N-ethylpropanamide
CID 92931902
(2R)-2-amino-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide
CID 78973445
2-amino-N-[(2,3-dichlorophenyl)methyl]-N-ethylacetamide
CID 66568409
2-amino-N-[(2-chlorophenyl)methyl]-N-ethyl-2-methylpropanamide
CID 61265237
N-[(2-chlorophenyl)methyl]-2-cyclopentyl-N-ethylacetamide
CID 78852823
N-[(2-chlorophenyl)methyl]-N-ethyl-2,2-difluoroacetamide
CID 103514772
N-[(2-chlorophenyl)methyl]-N-ethyl-2-(2-methoxyethylamino)acetamide;hydrochloride
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N-[(2-chlorophenyl)methyl]-N-ethyl-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide
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CID 103929207

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide?
The IUPAC name of 3-amino-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide (CID 60938834) is 3-amino-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide.
What is the SMILES notation for 3-amino-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide?
The canonical SMILES for 3-amino-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide is CCN(Cc1ccccc1Cl)C(=O)CCN.
What is the InChIKey of 3-amino-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide?
The InChIKey is TUUJIQKUOMUOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-2-15(12(16)7-8-14)9-10-5-3-4-6-11(10)13/h3-6H,2,7-9,14H2,1H3.
What are the key properties of 3-amino-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide?
3-amino-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide has a molecular weight of 240.73 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide is sourced from PubChem (CID 60938834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).