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

C34H34ClNO2 — CID 174503803

IUPACN-(3-chlorophenyl)-3-[[4-(2-cyclopentylphenyl)phenoxy]methyl]-N-propan-2-ylbenzamide
SMILESCC(C)N(C(=O)c1cccc(COc2ccc(-c3ccccc3C3CCCC3)cc2)c1)c1cccc(Cl)c1
InChIInChI=1S/C34H34ClNO2/c1-24(2)36(30-14-8-13-29(35)22-30)34(37)28-12-7-9-25(21-28)23-38-31-19-17-27(18-20-31)33-16-6-5-15-32(33)26-10-3-4-11-26/h5-9,12-22,24,26H,3-4,10-11,23H2,1-2H3
InChIKeySQJURJYZFZSQTJ-UHFFFAOYSA-N
MW524.10 g/mol
LogP9.30
Rot. Bonds8

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

N-(3-chlorophenyl)-3-[[4-(2-cyclopentylphenyl)phenoxy]methyl]-N-propan-2-ylbenzamide (PubChem CID 174503803) has the molecular formula C34H34ClNO2 and a molecular weight of 524.10 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-[[4-(2-cyclopentylphenyl)phenoxy]methyl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-[[4-(2-cyclopentylphenyl)phenoxy]methyl]-N-propan-2-ylbenzamide
PubChem CID174503803
Molecular FormulaC34H34ClNO2
Molecular Weight524.10 g/mol
Exact Mass523.23
IUPAC NameN-(3-chlorophenyl)-3-[[4-(2-cyclopentylphenyl)phenoxy]methyl]-N-propan-2-ylbenzamide
SMILESCC(C)N(C(=O)c1cccc(COc2ccc(-c3ccccc3C3CCCC3)cc2)c1)c1cccc(Cl)c1
InChIInChI=1S/C34H34ClNO2/c1-24(2)36(30-14-8-13-29(35)22-30)34(37)28-12-7-9-25(21-28)23-38-31-19-17-27(18-20-31)33-16-6-5-15-32(33)26-10-3-4-11-26/h5-9,12-22,24,26H,3-4,10-11,23H2,1-2H3
InChIKeySQJURJYZFZSQTJ-UHFFFAOYSA-N
XLogP9.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.10
LogP ≤ 59.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chlorophenyl)-3-[(4-cyclohexylphenoxy)methyl]-N-propan-2-ylbenzamide
CID 174503718
N-(3-chlorophenyl)-N-cyclohexyl-3-[(4-cyclohexylphenoxy)methyl]benzamide
CID 174503725
1-[(4-chlorophenyl)methoxy]-4-(2-cyclopentylphenyl)benzene
CID 174401977
N-benzyl-4-(4-chlorophenyl)-3-[(4-cyclohexylphenoxy)methyl]-N-methylbenzamide
CID 174503777
N-(3-chlorophenyl)-2-hydroxy-N-propan-2-ylacetamide
CID 14551932
3-[(4-phenylphenoxy)methyl]benzoic acid
CID 18707489
2-[[3-[[4-(4,5-difluoro-2-methylsulfanylphenyl)phenoxy]methyl]benzoyl]-piperidin-4-ylamino]acetic acid
CID 118872747
(2S,5R)-5-(2-chlorophenyl)-1-[4-[(3-chlorophenyl)methoxy]benzoyl]pyrrolidine-2-carboxylic acid
CID 53258008
propan-2-yl 4-[4-[(3-chlorophenyl)methoxy]phenyl]-2-oxo-6-propan-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110845924
benzyl 4-[4-[(3-chlorophenyl)methoxy]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110845914
3-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)phenoxy]methyl]benzoic acid
CID 166380758
4-[(3-chlorophenyl)methoxy]-N-methylsulfonylbenzamide
CID 56644738

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-[[4-(2-cyclopentylphenyl)phenoxy]methyl]-N-propan-2-ylbenzamide?
The IUPAC name of N-(3-chlorophenyl)-3-[[4-(2-cyclopentylphenyl)phenoxy]methyl]-N-propan-2-ylbenzamide (CID 174503803) is N-(3-chlorophenyl)-3-[[4-(2-cyclopentylphenyl)phenoxy]methyl]-N-propan-2-ylbenzamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-[[4-(2-cyclopentylphenyl)phenoxy]methyl]-N-propan-2-ylbenzamide?
The canonical SMILES for N-(3-chlorophenyl)-3-[[4-(2-cyclopentylphenyl)phenoxy]methyl]-N-propan-2-ylbenzamide is CC(C)N(C(=O)c1cccc(COc2ccc(-c3ccccc3C3CCCC3)cc2)c1)c1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-3-[[4-(2-cyclopentylphenyl)phenoxy]methyl]-N-propan-2-ylbenzamide?
The InChIKey is SQJURJYZFZSQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34ClNO2/c1-24(2)36(30-14-8-13-29(35)22-30)34(37)28-12-7-9-25(21-28)23-38-31-19-17-27(18-20-31)33-16-6-5-15-32(33)26-10-3-4-11-26/h5-9,12-22,24,26H,3-4,10-11,23H2,1-2H3.
What are the key properties of N-(3-chlorophenyl)-3-[[4-(2-cyclopentylphenyl)phenoxy]methyl]-N-propan-2-ylbenzamide?
N-(3-chlorophenyl)-3-[[4-(2-cyclopentylphenyl)phenoxy]methyl]-N-propan-2-ylbenzamide has a molecular weight of 524.10 g/mol, XLogP of 9.30, 8 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-(2-cyclopentylphenyl)phenoxy]methyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 174503803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).