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

C18H18Cl2N2O — CID 166343225

IUPAC2-amino-N-[(2-chlorophenyl)-(3-chlorophenyl)methyl]-2-cyclopropylacetamide
SMILESNC(C(=O)NC(c1cccc(Cl)c1)c1ccccc1Cl)C1CC1
InChIInChI=1S/C18H18Cl2N2O/c19-13-5-3-4-12(10-13)17(14-6-1-2-7-15(14)20)22-18(23)16(21)11-8-9-11/h1-7,10-11,16-17H,8-9,21H2,(H,22,23)
InChIKeyAIQBJDBDWHXUOO-UHFFFAOYSA-N
MW349.26 g/mol
LogP3.94
Rot. Bonds5

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

2-amino-N-[(2-chlorophenyl)-(3-chlorophenyl)methyl]-2-cyclopropylacetamide (PubChem CID 166343225) has the molecular formula C18H18Cl2N2O and a molecular weight of 349.26 g/mol. Its IUPAC name is 2-amino-N-[(2-chlorophenyl)-(3-chlorophenyl)methyl]-2-cyclopropylacetamide.

Molecular Properties

Compound Name2-amino-N-[(2-chlorophenyl)-(3-chlorophenyl)methyl]-2-cyclopropylacetamide
PubChem CID166343225
Molecular FormulaC18H18Cl2N2O
Molecular Weight349.26 g/mol
Exact Mass348.08
IUPAC Name2-amino-N-[(2-chlorophenyl)-(3-chlorophenyl)methyl]-2-cyclopropylacetamide
SMILESNC(C(=O)NC(c1cccc(Cl)c1)c1ccccc1Cl)C1CC1
InChIInChI=1S/C18H18Cl2N2O/c19-13-5-3-4-12(10-13)17(14-6-1-2-7-15(14)20)22-18(23)16(21)11-8-9-11/h1-7,10-11,16-17H,8-9,21H2,(H,22,23)
InChIKeyAIQBJDBDWHXUOO-UHFFFAOYSA-N
XLogP3.94
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.26
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(S)-(2-chlorophenyl)-phenylmethyl]urea
CID 871468
2-[[(3-chlorophenyl)-phenylmethyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120975283
(3S)-N-[(S)-(3-chlorophenyl)-phenylmethyl]pyrrolidine-3-carboxamide
CID 129415304
3-amino-N-[(3-chlorophenyl)-phenylmethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119736446
(2S,4S)-N-[(3-chlorophenyl)-phenylmethyl]-2-methylpiperidine-4-carboxamide
CID 120623966
(2S,4S)-N-[(3-chlorophenyl)-phenylmethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120623965
[(4-aminocyclohexyl)-(3-chlorophenyl)methyl]carbamic acid
CID 69089641
2-amino-N-(3-chlorophenyl)-2-(oxan-4-yl)acetamide
CID 120782718
4-amino-N-[(3-chlorophenyl)-phenylmethyl]pentanamide
CID 120560763
1-(3-chlorophenyl)-2-cyclopropylethane-1,2-diamine
CID 130854534
2-amino-N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-2-(oxan-4-yl)acetamide
CID 120799806
N-[(2-chlorophenyl)-(3-methoxyphenyl)methyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119801663

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2-chlorophenyl)-(3-chlorophenyl)methyl]-2-cyclopropylacetamide?
The IUPAC name of 2-amino-N-[(2-chlorophenyl)-(3-chlorophenyl)methyl]-2-cyclopropylacetamide (CID 166343225) is 2-amino-N-[(2-chlorophenyl)-(3-chlorophenyl)methyl]-2-cyclopropylacetamide.
What is the SMILES notation for 2-amino-N-[(2-chlorophenyl)-(3-chlorophenyl)methyl]-2-cyclopropylacetamide?
The canonical SMILES for 2-amino-N-[(2-chlorophenyl)-(3-chlorophenyl)methyl]-2-cyclopropylacetamide is NC(C(=O)NC(c1cccc(Cl)c1)c1ccccc1Cl)C1CC1.
What is the InChIKey of 2-amino-N-[(2-chlorophenyl)-(3-chlorophenyl)methyl]-2-cyclopropylacetamide?
The InChIKey is AIQBJDBDWHXUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O/c19-13-5-3-4-12(10-13)17(14-6-1-2-7-15(14)20)22-18(23)16(21)11-8-9-11/h1-7,10-11,16-17H,8-9,21H2,(H,22,23).
What are the key properties of 2-amino-N-[(2-chlorophenyl)-(3-chlorophenyl)methyl]-2-cyclopropylacetamide?
2-amino-N-[(2-chlorophenyl)-(3-chlorophenyl)methyl]-2-cyclopropylacetamide has a molecular weight of 349.26 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2-chlorophenyl)-(3-chlorophenyl)methyl]-2-cyclopropylacetamide is sourced from PubChem (CID 166343225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).