N-[(2-chlorophenyl)-(3-methoxyphenyl)methyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride

C20H24Cl2N2O2 — CID 119801663

IUPACN-[(2-chlorophenyl)-(3-methoxyphenyl)methyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
SMILESCOc1cccc(C(NC(=O)CNCC2CC2)c2ccccc2Cl)c1.Cl
InChIInChI=1S/C20H23ClN2O2.ClH/c1-25-16-6-4-5-15(11-16)20(17-7-2-3-8-18(17)21)23-19(24)13-22-12-14-9-10-14;/h2-8,11,14,20,22H,9-10,12-13H2,1H3,(H,23,24);1H
InChIKeyWKFRDWXISUODBZ-UHFFFAOYSA-N
MW395.33 g/mol
LogP3.98
Rot. Bonds8

About N-[(2-chlorophenyl)-(3-methoxyphenyl)methyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride

N-[(2-chlorophenyl)-(3-methoxyphenyl)methyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride (PubChem CID 119801663) has the molecular formula C20H24Cl2N2O2 and a molecular weight of 395.33 g/mol. Its IUPAC name is N-[(2-chlorophenyl)-(3-methoxyphenyl)methyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[(2-chlorophenyl)-(3-methoxyphenyl)methyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
PubChem CID119801663
Molecular FormulaC20H24Cl2N2O2
Molecular Weight395.33 g/mol
Exact Mass394.12
IUPAC NameN-[(2-chlorophenyl)-(3-methoxyphenyl)methyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
SMILESCOc1cccc(C(NC(=O)CNCC2CC2)c2ccccc2Cl)c1.Cl
InChIInChI=1S/C20H23ClN2O2.ClH/c1-25-16-6-4-5-15(11-16)20(17-7-2-3-8-18(17)21)23-19(24)13-22-12-14-9-10-14;/h2-8,11,14,20,22H,9-10,12-13H2,1H3,(H,23,24);1H
InChIKeyWKFRDWXISUODBZ-UHFFFAOYSA-N
XLogP3.98
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.33
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylmethylamino)-N-[1-(3-methoxyphenyl)ethyl]acetamide;hydrochloride
CID 119706579
3-[[(2-chlorophenyl)-(3-methoxyphenyl)methyl]carbamoyl-methylamino]propanoic acid
CID 122003516
N-[4-[[(R)-(2-chlorophenyl)-(3-methoxyphenyl)methyl]amino]cyclohexyl]acetamide
CID 97341188
N-[(2-chlorophenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 61030140
4-[[(2-chlorophenyl)-(3-methoxyphenyl)methyl]carbamoylamino]butanoic acid
CID 122003514
2-(cyclopropylmethylamino)-N-[(3-methylsulfonylphenyl)-phenylmethyl]acetamide;hydrochloride
CID 119796976
N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119809465
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[bis(3-methoxyphenyl)methyl]acetamide
CID 119812625
1-[(2-chlorophenyl)-(3-methoxyphenyl)methyl]-3-[(2-oxo-1,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrol-6a-yl)methyl]urea
CID 167966334
2-(cyclopropylmethylamino)-N-[(3-methoxyphenyl)methyl]acetamide;hydrochloride
CID 119678219
N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119809463
N-[(4-bromophenyl)-phenylmethyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119750778

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)-(3-methoxyphenyl)methyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride?
The IUPAC name of N-[(2-chlorophenyl)-(3-methoxyphenyl)methyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride (CID 119801663) is N-[(2-chlorophenyl)-(3-methoxyphenyl)methyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[(2-chlorophenyl)-(3-methoxyphenyl)methyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride?
The canonical SMILES for N-[(2-chlorophenyl)-(3-methoxyphenyl)methyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride is COc1cccc(C(NC(=O)CNCC2CC2)c2ccccc2Cl)c1.Cl.
What is the InChIKey of N-[(2-chlorophenyl)-(3-methoxyphenyl)methyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride?
The InChIKey is WKFRDWXISUODBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2.ClH/c1-25-16-6-4-5-15(11-16)20(17-7-2-3-8-18(17)21)23-19(24)13-22-12-14-9-10-14;/h2-8,11,14,20,22H,9-10,12-13H2,1H3,(H,23,24);1H.
What are the key properties of N-[(2-chlorophenyl)-(3-methoxyphenyl)methyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride?
N-[(2-chlorophenyl)-(3-methoxyphenyl)methyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride has a molecular weight of 395.33 g/mol, XLogP of 3.98, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)-(3-methoxyphenyl)methyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride is sourced from PubChem (CID 119801663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).