N-[4-[(4-aminocyclohexyl)amino]-2-chlorophenyl]acetamide

C14H20ClN3O — CID 79723981

IUPACN-[4-[(4-aminocyclohexyl)amino]-2-chlorophenyl]acetamide
SMILESCC(=O)Nc1ccc(NC2CCC(N)CC2)cc1Cl
InChIInChI=1S/C14H20ClN3O/c1-9(19)17-14-7-6-12(8-13(14)15)18-11-4-2-10(16)3-5-11/h6-8,10-11,18H,2-5,16H2,1H3,(H,17,19)
InChIKeyORFXNUBILHBCIX-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.98
Rot. Bonds3

About N-[4-[(4-aminocyclohexyl)amino]-2-chlorophenyl]acetamide

N-[4-[(4-aminocyclohexyl)amino]-2-chlorophenyl]acetamide (PubChem CID 79723981) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is N-[4-[(4-aminocyclohexyl)amino]-2-chlorophenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(4-aminocyclohexyl)amino]-2-chlorophenyl]acetamide
PubChem CID79723981
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC NameN-[4-[(4-aminocyclohexyl)amino]-2-chlorophenyl]acetamide
SMILESCC(=O)Nc1ccc(NC2CCC(N)CC2)cc1Cl
InChIInChI=1S/C14H20ClN3O/c1-9(19)17-14-7-6-12(8-13(14)15)18-11-4-2-10(16)3-5-11/h6-8,10-11,18H,2-5,16H2,1H3,(H,17,19)
InChIKeyORFXNUBILHBCIX-UHFFFAOYSA-N
XLogP2.98
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-chloro-4-[(3-cyclopropylcyclohexyl)amino]phenyl]acetamide
CID 64596038
N-[2-chloro-4-(oxolan-3-ylamino)phenyl]acetamide
CID 63331642
4-N-(3,4-dichlorophenyl)cyclohexane-1,4-diamine
CID 79724276
N-(4-acetamido-3-chlorophenyl)-3-aminocyclopentane-1-carboxamide;hydrochloride
CID 119700272
N-[2-chloro-4-[(5,5-dimethylthian-3-yl)amino]phenyl]acetamide
CID 79955537
N-(4-acetamido-3-chlorophenyl)-3-aminobicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119700273
N-[2-methyl-4-[(4-methylcyclohexyl)amino]phenyl]acetamide
CID 43672817
N-[2-chloro-4-[(4-hydroxycyclohexyl)amino]phenyl]methanesulfonamide
CID 106594192
N-[2-chloro-4-(1-cyclopropylethylamino)phenyl]acetamide
CID 43690232
N-[4-[(4-hydroxycyclohexyl)amino]-2-methoxyphenyl]acetamide
CID 106593678
N-(4-acetamido-3-chlorophenyl)-2-(cyclopentylamino)acetamide
CID 60720174
2-chloro-4-[[4-(methylamino)cyclohexyl]amino]benzamide
CID 79111094

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-aminocyclohexyl)amino]-2-chlorophenyl]acetamide?
The IUPAC name of N-[4-[(4-aminocyclohexyl)amino]-2-chlorophenyl]acetamide (CID 79723981) is N-[4-[(4-aminocyclohexyl)amino]-2-chlorophenyl]acetamide.
What is the SMILES notation for N-[4-[(4-aminocyclohexyl)amino]-2-chlorophenyl]acetamide?
The canonical SMILES for N-[4-[(4-aminocyclohexyl)amino]-2-chlorophenyl]acetamide is CC(=O)Nc1ccc(NC2CCC(N)CC2)cc1Cl.
What is the InChIKey of N-[4-[(4-aminocyclohexyl)amino]-2-chlorophenyl]acetamide?
The InChIKey is ORFXNUBILHBCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-9(19)17-14-7-6-12(8-13(14)15)18-11-4-2-10(16)3-5-11/h6-8,10-11,18H,2-5,16H2,1H3,(H,17,19).
What are the key properties of N-[4-[(4-aminocyclohexyl)amino]-2-chlorophenyl]acetamide?
N-[4-[(4-aminocyclohexyl)amino]-2-chlorophenyl]acetamide has a molecular weight of 281.79 g/mol, XLogP of 2.98, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-aminocyclohexyl)amino]-2-chlorophenyl]acetamide is sourced from PubChem (CID 79723981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).