2-(4-chlorophenyl)-2-(cyclohexylamino)-2-cyclopropylacetamide

C17H23ClN2O — CID 60997584

IUPAC2-(4-chlorophenyl)-2-(cyclohexylamino)-2-cyclopropylacetamide
SMILESNC(=O)C(NC1CCCCC1)(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C17H23ClN2O/c18-14-10-8-13(9-11-14)17(16(19)21,12-6-7-12)20-15-4-2-1-3-5-15/h8-12,15,20H,1-7H2,(H2,19,21)
InChIKeyHBJHZLDTSVEILX-UHFFFAOYSA-N
MW306.84 g/mol
LogP3.35
Rot. Bonds5

About 2-(4-chlorophenyl)-2-(cyclohexylamino)-2-cyclopropylacetamide

2-(4-chlorophenyl)-2-(cyclohexylamino)-2-cyclopropylacetamide (PubChem CID 60997584) has the molecular formula C17H23ClN2O and a molecular weight of 306.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-(cyclohexylamino)-2-cyclopropylacetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-(cyclohexylamino)-2-cyclopropylacetamide
PubChem CID60997584
Molecular FormulaC17H23ClN2O
Molecular Weight306.84 g/mol
Exact Mass306.15
IUPAC Name2-(4-chlorophenyl)-2-(cyclohexylamino)-2-cyclopropylacetamide
SMILESNC(=O)C(NC1CCCCC1)(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C17H23ClN2O/c18-14-10-8-13(9-11-14)17(16(19)21,12-6-7-12)20-15-4-2-1-3-5-15/h8-12,15,20H,1-7H2,(H2,19,21)
InChIKeyHBJHZLDTSVEILX-UHFFFAOYSA-N
XLogP3.35
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(4-chlorophenyl)-2-cyclopropyl-2-(propan-2-ylamino)acetate
CID 60874252
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2-(4-chlorophenyl)-N-cyclopentyl-2-methylpropanamide
CID 47300023
2-(4-chlorophenyl)-2-cyclopropyl-2-(cyclopropylmethylamino)acetic acid
CID 61002443
2-(3-chlorophenyl)-2-(cycloheptylamino)butanamide
CID 60998078
2-(cyclopentylamino)-2-(4-hydroxyphenyl)propanamide
CID 54894194
2-(cycloheptylamino)-2-phenylpropanamide
CID 54892648
methyl 2-(4-chlorophenyl)-2-cyclopropyl-2-(cyclopropylmethylamino)acetate
CID 61001353
2-(4-chlorophenyl)-2-(cyclopropylamino)propanoic acid
CID 43754458
2-(4-chlorophenyl)-2-cyclopropyl-2-[2-(dimethylamino)ethylamino]acetic acid
CID 61001788
1-(4-chlorophenyl)-3-cyclododecylurea
CID 19165021
2-(cyclopentylamino)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 60998760

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-(cyclohexylamino)-2-cyclopropylacetamide?
The IUPAC name of 2-(4-chlorophenyl)-2-(cyclohexylamino)-2-cyclopropylacetamide (CID 60997584) is 2-(4-chlorophenyl)-2-(cyclohexylamino)-2-cyclopropylacetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-2-(cyclohexylamino)-2-cyclopropylacetamide?
The canonical SMILES for 2-(4-chlorophenyl)-2-(cyclohexylamino)-2-cyclopropylacetamide is NC(=O)C(NC1CCCCC1)(c1ccc(Cl)cc1)C1CC1.
What is the InChIKey of 2-(4-chlorophenyl)-2-(cyclohexylamino)-2-cyclopropylacetamide?
The InChIKey is HBJHZLDTSVEILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O/c18-14-10-8-13(9-11-14)17(16(19)21,12-6-7-12)20-15-4-2-1-3-5-15/h8-12,15,20H,1-7H2,(H2,19,21).
What are the key properties of 2-(4-chlorophenyl)-2-(cyclohexylamino)-2-cyclopropylacetamide?
2-(4-chlorophenyl)-2-(cyclohexylamino)-2-cyclopropylacetamide has a molecular weight of 306.84 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-(cyclohexylamino)-2-cyclopropylacetamide is sourced from PubChem (CID 60997584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).