N-[2-chloro-4-[(3-cyclopropylcyclohexyl)amino]phenyl]acetamide

C17H23ClN2O — CID 64596038

IUPACN-[2-chloro-4-[(3-cyclopropylcyclohexyl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC2CCCC(C3CC3)C2)cc1Cl
InChIInChI=1S/C17H23ClN2O/c1-11(21)19-17-8-7-15(10-16(17)18)20-14-4-2-3-13(9-14)12-5-6-12/h7-8,10,12-14,20H,2-6,9H2,1H3,(H,19,21)
InChIKeyFAOQYUKJOZETKM-UHFFFAOYSA-N
MW306.84 g/mol
LogP4.68
Rot. Bonds4

About N-[2-chloro-4-[(3-cyclopropylcyclohexyl)amino]phenyl]acetamide

N-[2-chloro-4-[(3-cyclopropylcyclohexyl)amino]phenyl]acetamide (PubChem CID 64596038) has the molecular formula C17H23ClN2O and a molecular weight of 306.84 g/mol. Its IUPAC name is N-[2-chloro-4-[(3-cyclopropylcyclohexyl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-chloro-4-[(3-cyclopropylcyclohexyl)amino]phenyl]acetamide
PubChem CID64596038
Molecular FormulaC17H23ClN2O
Molecular Weight306.84 g/mol
Exact Mass306.15
IUPAC NameN-[2-chloro-4-[(3-cyclopropylcyclohexyl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC2CCCC(C3CC3)C2)cc1Cl
InChIInChI=1S/C17H23ClN2O/c1-11(21)19-17-8-7-15(10-16(17)18)20-14-4-2-3-13(9-14)12-5-6-12/h7-8,10,12-14,20H,2-6,9H2,1H3,(H,19,21)
InChIKeyFAOQYUKJOZETKM-UHFFFAOYSA-N
XLogP4.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[(4-aminocyclohexyl)amino]-2-chlorophenyl]acetamide
CID 79723981
N-[2-chloro-4-(oxolan-3-ylamino)phenyl]acetamide
CID 63331642
N-(4-acetamido-3-chlorophenyl)-2-(cyclopentylamino)acetamide
CID 60720174
4-chloro-N-(3-cyclopropylcyclohexyl)-3-fluoroaniline
CID 64594863
N-[4-[(3-aminocyclohexyl)amino]-2-methoxyphenyl]acetamide
CID 79458739
N-[2-chloro-4-[(5,5-dimethylthian-3-yl)amino]phenyl]acetamide
CID 79955537
4-chloro-N-(3-cyclopropylcyclohexyl)-3-nitroaniline
CID 64594680
N-(4-acetamido-3-chlorophenyl)-3-aminobicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119700273
N-[2-chloro-4-(1-cyclopropylethylamino)phenyl]acetamide
CID 43690232
3-chloro-N-(3-cyclopropylcyclohexyl)-4-(difluoromethoxy)aniline
CID 64594247
methyl 5-[(3-cyclopropylcyclohexyl)amino]-2-fluorobenzoate
CID 64596414
N-[3-[(3-cyclopropylcyclohexyl)amino]phenyl]-2-hydroxyacetamide
CID 84593935

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-[(3-cyclopropylcyclohexyl)amino]phenyl]acetamide?
The IUPAC name of N-[2-chloro-4-[(3-cyclopropylcyclohexyl)amino]phenyl]acetamide (CID 64596038) is N-[2-chloro-4-[(3-cyclopropylcyclohexyl)amino]phenyl]acetamide.
What is the SMILES notation for N-[2-chloro-4-[(3-cyclopropylcyclohexyl)amino]phenyl]acetamide?
The canonical SMILES for N-[2-chloro-4-[(3-cyclopropylcyclohexyl)amino]phenyl]acetamide is CC(=O)Nc1ccc(NC2CCCC(C3CC3)C2)cc1Cl.
What is the InChIKey of N-[2-chloro-4-[(3-cyclopropylcyclohexyl)amino]phenyl]acetamide?
The InChIKey is FAOQYUKJOZETKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O/c1-11(21)19-17-8-7-15(10-16(17)18)20-14-4-2-3-13(9-14)12-5-6-12/h7-8,10,12-14,20H,2-6,9H2,1H3,(H,19,21).
What are the key properties of N-[2-chloro-4-[(3-cyclopropylcyclohexyl)amino]phenyl]acetamide?
N-[2-chloro-4-[(3-cyclopropylcyclohexyl)amino]phenyl]acetamide has a molecular weight of 306.84 g/mol, XLogP of 4.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-[(3-cyclopropylcyclohexyl)amino]phenyl]acetamide is sourced from PubChem (CID 64596038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).