N-(3-chlorophenyl)-3-[(4-cyclohexylphenoxy)methyl]-N-propan-2-ylbenzamide

C29H32ClNO2 — CID 174503718

IUPACN-(3-chlorophenyl)-3-[(4-cyclohexylphenoxy)methyl]-N-propan-2-ylbenzamide
SMILESCC(C)N(C(=O)c1cccc(COc2ccc(C3CCCCC3)cc2)c1)c1cccc(Cl)c1
InChIInChI=1S/C29H32ClNO2/c1-21(2)31(27-13-7-12-26(30)19-27)29(32)25-11-6-8-22(18-25)20-33-28-16-14-24(15-17-28)23-9-4-3-5-10-23/h6-8,11-19,21,23H,3-5,9-10,20H2,1-2H3
InChIKeyCDQNTZTUPNQRRS-UHFFFAOYSA-N
MW462.03 g/mol
LogP8.02
Rot. Bonds7

About N-(3-chlorophenyl)-3-[(4-cyclohexylphenoxy)methyl]-N-propan-2-ylbenzamide

N-(3-chlorophenyl)-3-[(4-cyclohexylphenoxy)methyl]-N-propan-2-ylbenzamide (PubChem CID 174503718) has the molecular formula C29H32ClNO2 and a molecular weight of 462.03 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-[(4-cyclohexylphenoxy)methyl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-[(4-cyclohexylphenoxy)methyl]-N-propan-2-ylbenzamide
PubChem CID174503718
Molecular FormulaC29H32ClNO2
Molecular Weight462.03 g/mol
Exact Mass461.21
IUPAC NameN-(3-chlorophenyl)-3-[(4-cyclohexylphenoxy)methyl]-N-propan-2-ylbenzamide
SMILESCC(C)N(C(=O)c1cccc(COc2ccc(C3CCCCC3)cc2)c1)c1cccc(Cl)c1
InChIInChI=1S/C29H32ClNO2/c1-21(2)31(27-13-7-12-26(30)19-27)29(32)25-11-6-8-22(18-25)20-33-28-16-14-24(15-17-28)23-9-4-3-5-10-23/h6-8,11-19,21,23H,3-5,9-10,20H2,1-2H3
InChIKeyCDQNTZTUPNQRRS-UHFFFAOYSA-N
XLogP8.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.03
LogP ≤ 58.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chlorophenyl)-3-[[4-(2-cyclopentylphenyl)phenoxy]methyl]-N-propan-2-ylbenzamide
CID 174503803
N-(3-chlorophenyl)-N-cyclohexyl-3-[(4-cyclohexylphenoxy)methyl]benzamide
CID 174503725
N-benzyl-4-(4-chlorophenyl)-3-[(4-cyclohexylphenoxy)methyl]-N-methylbenzamide
CID 174503777
3-[(4-piperidin-3-ylphenoxy)methyl]benzoic acid
CID 117100164
methyl 4-[(4-cyclohexylphenoxy)methyl]benzoate
CID 925837
3-chloro-N-(4-cyclohexylphenyl)-N-phenylaniline
CID 177098600
propan-2-yl 4-[4-[(3-chlorophenyl)methoxy]phenyl]-2-oxo-6-propan-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110845924
4-(4-chlorophenyl)-3-[(4-cyclohexylphenoxy)methyl]-N-ethyl-N-pyridin-4-ylbenzamide
CID 174517932
2-bromo-1-[4-[(4-cyclohexylphenyl)methoxy]phenyl]ethanone
CID 58782300
[2-(4-cyclohexylphenyl)-2-oxoethyl] 3-chlorobenzoate
CID 1327389
benzyl 4-[4-[(3-chlorophenyl)methoxy]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110845914
N-(3-chlorophenyl)-2-hydroxy-N-propan-2-ylacetamide
CID 14551932

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-[(4-cyclohexylphenoxy)methyl]-N-propan-2-ylbenzamide?
The IUPAC name of N-(3-chlorophenyl)-3-[(4-cyclohexylphenoxy)methyl]-N-propan-2-ylbenzamide (CID 174503718) is N-(3-chlorophenyl)-3-[(4-cyclohexylphenoxy)methyl]-N-propan-2-ylbenzamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-[(4-cyclohexylphenoxy)methyl]-N-propan-2-ylbenzamide?
The canonical SMILES for N-(3-chlorophenyl)-3-[(4-cyclohexylphenoxy)methyl]-N-propan-2-ylbenzamide is CC(C)N(C(=O)c1cccc(COc2ccc(C3CCCCC3)cc2)c1)c1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-3-[(4-cyclohexylphenoxy)methyl]-N-propan-2-ylbenzamide?
The InChIKey is CDQNTZTUPNQRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32ClNO2/c1-21(2)31(27-13-7-12-26(30)19-27)29(32)25-11-6-8-22(18-25)20-33-28-16-14-24(15-17-28)23-9-4-3-5-10-23/h6-8,11-19,21,23H,3-5,9-10,20H2,1-2H3.
What are the key properties of N-(3-chlorophenyl)-3-[(4-cyclohexylphenoxy)methyl]-N-propan-2-ylbenzamide?
N-(3-chlorophenyl)-3-[(4-cyclohexylphenoxy)methyl]-N-propan-2-ylbenzamide has a molecular weight of 462.03 g/mol, XLogP of 8.02, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-[(4-cyclohexylphenoxy)methyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 174503718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).