N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-4-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)benzamide

C32H31FN2O3 — CID 42484394

IUPACN-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-4-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)benzamide
SMILESCOc1ccc(CN(Cc2ccncc2)C(=O)c2ccc(-c3cccc(F)c3)cc2)cc1OC1CCCC1
InChIInChI=1S/C32H31FN2O3/c1-37-30-14-9-24(19-31(30)38-29-7-2-3-8-29)22-35(21-23-15-17-34-18-16-23)32(36)26-12-10-25(11-13-26)27-5-4-6-28(33)20-27/h4-6,9-20,29H,2-3,7-8,21-22H2,1H3
InChIKeyRRFBWQISYVHXGV-UHFFFAOYSA-N
MW510.61 g/mol
LogP7.06
Rot. Bonds9

About N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-4-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)benzamide

N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-4-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 42484394) has the molecular formula C32H31FN2O3 and a molecular weight of 510.61 g/mol. Its IUPAC name is N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-4-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-4-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)benzamide
PubChem CID42484394
Molecular FormulaC32H31FN2O3
Molecular Weight510.61 g/mol
Exact Mass510.23
IUPAC NameN-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-4-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)benzamide
SMILESCOc1ccc(CN(Cc2ccncc2)C(=O)c2ccc(-c3cccc(F)c3)cc2)cc1OC1CCCC1
InChIInChI=1S/C32H31FN2O3/c1-37-30-14-9-24(19-31(30)38-29-7-2-3-8-29)22-35(21-23-15-17-34-18-16-23)32(36)26-12-10-25(11-13-26)27-5-4-6-28(33)20-27/h4-6,9-20,29H,2-3,7-8,21-22H2,1H3
InChIKeyRRFBWQISYVHXGV-UHFFFAOYSA-N
XLogP7.06
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.61
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methoxyphenyl)methyl]-5H-[1]benzopyrano[3,4-c]pyridine-8-carboxamide
CID 121363591
N-[(3,4-dimethoxyphenyl)methyl]-5-(3-fluoro-5-methylphenyl)-2-pyridin-3-ylpyridine-3-carboxamide
CID 25060899
4-(3-fluoro-4-pyridinyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide
CID 68513301
2-(4-{2-[(1-ethylcyclopentyl)(2-hydroxyethyl)carbamoyl]phenyl}-2-hydroxybutyl)-N-(2-hydroxyethyl)-5-methyl-N-{2-[4-(pyridin-3-ylmethoxy)phenyl]propan-2-yl}benzamide
CID 461076
N-[(2,3-dihydro-1,4-benzodioxin-5-yl)methyl]-4-(pyridin-4-yl)benzamide
CID 134823958
Ethyl 6-[3-[[isopropyl-[4-(4-pyridyl)benzoyl]amino]methyl]phenoxy]hexanoate
CID 70686323
3-cyclopentyloxy-4-methoxy-N-pyridin-4-yl-benzamide
CID 10041213
3-Cyclopentyloxy-4-methoxy-N-(2,3,5-trifluoro-pyridin-4-yl)-benzamide
CID 10406571
2-(3-cyclopentyloxy-4-methoxyphenyl)-5-phenylmethoxy-2-(pyridin-4-ylmethyl)-3H-inden-1-one
CID 10625774
N-(3-methoxybenzyl)-4-(4-pyridinyl)benzamide
CID 11537005
3'',4''-Dimethoxy-biphenyl-4-carboxylic acid (1-methyl-4-pyridin-3-yl-butyl)-amide
CID 14570089
1-[4-[3-[4-[(4-Fluorophenyl)-pyridin-2-ylmethyl]piperidin-1-yl]propoxy]-3-methoxyphenyl]ethanone
CID 15093865

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-4-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-4-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)benzamide (CID 42484394) is N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-4-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-4-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-4-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)benzamide is COc1ccc(CN(Cc2ccncc2)C(=O)c2ccc(-c3cccc(F)c3)cc2)cc1OC1CCCC1.
What is the InChIKey of N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-4-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is RRFBWQISYVHXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31FN2O3/c1-37-30-14-9-24(19-31(30)38-29-7-2-3-8-29)22-35(21-23-15-17-34-18-16-23)32(36)26-12-10-25(11-13-26)27-5-4-6-28(33)20-27/h4-6,9-20,29H,2-3,7-8,21-22H2,1H3.
What are the key properties of N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-4-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)benzamide?
N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-4-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 510.61 g/mol, XLogP of 7.06, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-4-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 42484394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).