N-(4-chlorophenyl)acetamide;4-cyclohexylquinazoline

C22H24ClN3O — CID 145078398

IUPACN-(4-chlorophenyl)acetamide;4-cyclohexylquinazoline
SMILESCC(=O)Nc1ccc(Cl)cc1.c1ccc2c(C3CCCCC3)ncnc2c1
InChIInChI=1S/C14H16N2.C8H8ClNO/c1-2-6-11(7-3-1)14-12-8-4-5-9-13(12)15-10-16-14;1-6(11)10-8-4-2-7(9)3-5-8/h4-5,8-11H,1-3,6-7H2;2-5H,1H3,(H,10,11)
InChIKeyRBVLETKOJOKHOA-UHFFFAOYSA-N
MW381.91 g/mol
LogP5.98
Rot. Bonds2

About N-(4-chlorophenyl)acetamide;4-cyclohexylquinazoline

N-(4-chlorophenyl)acetamide;4-cyclohexylquinazoline (PubChem CID 145078398) has the molecular formula C22H24ClN3O and a molecular weight of 381.91 g/mol. Its IUPAC name is N-(4-chlorophenyl)acetamide;4-cyclohexylquinazoline.

Molecular Properties

Compound NameN-(4-chlorophenyl)acetamide;4-cyclohexylquinazoline
PubChem CID145078398
Molecular FormulaC22H24ClN3O
Molecular Weight381.91 g/mol
Exact Mass381.16
IUPAC NameN-(4-chlorophenyl)acetamide;4-cyclohexylquinazoline
SMILESCC(=O)Nc1ccc(Cl)cc1.c1ccc2c(C3CCCCC3)ncnc2c1
InChIInChI=1S/C14H16N2.C8H8ClNO/c1-2-6-11(7-3-1)14-12-8-4-5-9-13(12)15-10-16-14;1-6(11)10-8-4-2-7(9)3-5-8/h4-5,8-11H,1-3,6-7H2;2-5H,1H3,(H,10,11)
InChIKeyRBVLETKOJOKHOA-UHFFFAOYSA-N
XLogP5.98
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.91
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-2-quinazolin-4-ylsulfanylacetamide
CID 2362180
N-(4-acetamidophenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide
CID 110437368
1-(4-chlorophenyl)-3-cyclododecylurea
CID 19165021
N-(4-chlorophenyl)-2-(cyclohexylamino)acetamide
CID 788648
N-[4-(4-chloroanilino)phenyl]acetamide
CID 71397904
N-(4-acetylphenyl)-1-quinazolin-4-ylpyrrolidine-2-carboxamide
CID 42884115
N-(4-acetamidophenyl)-6-(cyclohexylamino)pyrimidine-4-carboxamide
CID 46880877
4-(1-prop-1-enylpyrrolidin-3-yl)quinazoline
CID 175409443
4-[(4-cyclohexylquinazolin-2-yl)amino]-N-(3,5-dimethylphenyl)benzamide
CID 174721221
N-[1-(4-chlorophenyl)-4-quinolin-4-ylcyclohexyl]acetamide
CID 156757393
N-[4-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cycloheptyl]phenyl]acetamide
CID 59617302
4-cyclohexylquinazolin-2-amine
CID 66520631

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)acetamide;4-cyclohexylquinazoline?
The IUPAC name of N-(4-chlorophenyl)acetamide;4-cyclohexylquinazoline (CID 145078398) is N-(4-chlorophenyl)acetamide;4-cyclohexylquinazoline.
What is the SMILES notation for N-(4-chlorophenyl)acetamide;4-cyclohexylquinazoline?
The canonical SMILES for N-(4-chlorophenyl)acetamide;4-cyclohexylquinazoline is CC(=O)Nc1ccc(Cl)cc1.c1ccc2c(C3CCCCC3)ncnc2c1.
What is the InChIKey of N-(4-chlorophenyl)acetamide;4-cyclohexylquinazoline?
The InChIKey is RBVLETKOJOKHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2.C8H8ClNO/c1-2-6-11(7-3-1)14-12-8-4-5-9-13(12)15-10-16-14;1-6(11)10-8-4-2-7(9)3-5-8/h4-5,8-11H,1-3,6-7H2;2-5H,1H3,(H,10,11).
What are the key properties of N-(4-chlorophenyl)acetamide;4-cyclohexylquinazoline?
N-(4-chlorophenyl)acetamide;4-cyclohexylquinazoline has a molecular weight of 381.91 g/mol, XLogP of 5.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)acetamide;4-cyclohexylquinazoline is sourced from PubChem (CID 145078398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).