2-anilino-N-benzyl-N-cyclopropylacetamide;hydrochloride

C18H21ClN2O — CID 119703213

IUPAC2-anilino-N-benzyl-N-cyclopropylacetamide;hydrochloride
SMILESCl.O=C(CNc1ccccc1)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C18H20N2O.ClH/c21-18(13-19-16-9-5-2-6-10-16)20(17-11-12-17)14-15-7-3-1-4-8-15;/h1-10,17,19H,11-14H2;1H
InChIKeyAYZDIXZWDFOMOA-UHFFFAOYSA-N
MW316.83 g/mol
LogP3.71
Rot. Bonds6

About 2-anilino-N-benzyl-N-cyclopropylacetamide;hydrochloride

2-anilino-N-benzyl-N-cyclopropylacetamide;hydrochloride (PubChem CID 119703213) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is 2-anilino-N-benzyl-N-cyclopropylacetamide;hydrochloride.

Molecular Properties

Compound Name2-anilino-N-benzyl-N-cyclopropylacetamide;hydrochloride
PubChem CID119703213
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC Name2-anilino-N-benzyl-N-cyclopropylacetamide;hydrochloride
SMILESCl.O=C(CNc1ccccc1)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C18H20N2O.ClH/c21-18(13-19-16-9-5-2-6-10-16)20(17-11-12-17)14-15-7-3-1-4-8-15;/h1-10,17,19H,11-14H2;1H
InChIKeyAYZDIXZWDFOMOA-UHFFFAOYSA-N
XLogP3.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-anilino-N-cyclopropyl-N-[(4-fluorophenyl)methyl]acetamide
CID 119693145
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CID 60937842
N-benzyl-2-(cyclopentylamino)-N-cyclopropylacetamide
CID 60846421
2-anilino-N-cyclopropyl-N-(2-methylpropyl)acetamide
CID 60938792
N-benzyl-N-cyclopropyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 78924228
N-benzyl-N-cyclopropyl-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119703228
2-anilino-N-cyclopentyl-N-(2-methylpropyl)acetamide;hydrochloride
CID 119729649
N-benzyl-2-(butan-2-ylamino)-N-cyclopropylacetamide
CID 54925148
N-benzyl-N-cyclopropyl-3,3-diphenylpropanamide
CID 55549162
2-anilino-N-cyclopentyl-N-prop-2-enylacetamide
CID 54872346
N-benzyl-2-(5-chloro-2-methoxyanilino)-N-cyclopropylacetamide
CID 60535262
2-anilino-N-benzyl-N-propylacetamide;hydrochloride
CID 119681623

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-benzyl-N-cyclopropylacetamide;hydrochloride?
The IUPAC name of 2-anilino-N-benzyl-N-cyclopropylacetamide;hydrochloride (CID 119703213) is 2-anilino-N-benzyl-N-cyclopropylacetamide;hydrochloride.
What is the SMILES notation for 2-anilino-N-benzyl-N-cyclopropylacetamide;hydrochloride?
The canonical SMILES for 2-anilino-N-benzyl-N-cyclopropylacetamide;hydrochloride is Cl.O=C(CNc1ccccc1)N(Cc1ccccc1)C1CC1.
What is the InChIKey of 2-anilino-N-benzyl-N-cyclopropylacetamide;hydrochloride?
The InChIKey is AYZDIXZWDFOMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O.ClH/c21-18(13-19-16-9-5-2-6-10-16)20(17-11-12-17)14-15-7-3-1-4-8-15;/h1-10,17,19H,11-14H2;1H.
What are the key properties of 2-anilino-N-benzyl-N-cyclopropylacetamide;hydrochloride?
2-anilino-N-benzyl-N-cyclopropylacetamide;hydrochloride has a molecular weight of 316.83 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-benzyl-N-cyclopropylacetamide;hydrochloride is sourced from PubChem (CID 119703213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).