4-(2-chlorophenyl)-N-(4-propan-2-yloxynaphthalen-1-yl)oxane-4-carboxamide

C25H26ClNO3 — CID 100749545

IUPAC4-(2-chlorophenyl)-N-(4-propan-2-yloxynaphthalen-1-yl)oxane-4-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)C2(c3ccccc3Cl)CCOCC2)c2ccccc12
InChIInChI=1S/C25H26ClNO3/c1-17(2)30-23-12-11-22(18-7-3-4-8-19(18)23)27-24(28)25(13-15-29-16-14-25)20-9-5-6-10-21(20)26/h3-12,17H,13-16H2,1-2H3,(H,27,28)
InChIKeyCCICTWLONVFUEX-UHFFFAOYSA-N
MW423.94 g/mol
LogP5.97
Rot. Bonds5

About 4-(2-chlorophenyl)-N-(4-propan-2-yloxynaphthalen-1-yl)oxane-4-carboxamide

4-(2-chlorophenyl)-N-(4-propan-2-yloxynaphthalen-1-yl)oxane-4-carboxamide (PubChem CID 100749545) has the molecular formula C25H26ClNO3 and a molecular weight of 423.94 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-N-(4-propan-2-yloxynaphthalen-1-yl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)-N-(4-propan-2-yloxynaphthalen-1-yl)oxane-4-carboxamide
PubChem CID100749545
Molecular FormulaC25H26ClNO3
Molecular Weight423.94 g/mol
Exact Mass423.16
IUPAC Name4-(2-chlorophenyl)-N-(4-propan-2-yloxynaphthalen-1-yl)oxane-4-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)C2(c3ccccc3Cl)CCOCC2)c2ccccc12
InChIInChI=1S/C25H26ClNO3/c1-17(2)30-23-12-11-22(18-7-3-4-8-19(18)23)27-24(28)25(13-15-29-16-14-25)20-9-5-6-10-21(20)26/h3-12,17H,13-16H2,1-2H3,(H,27,28)
InChIKeyCCICTWLONVFUEX-UHFFFAOYSA-N
XLogP5.97
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.94
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-fluorophenyl)-N-(4-propan-2-yloxynaphthalen-1-yl)oxane-4-carboxamide
CID 100748983
1-(2,4-dichlorophenyl)-N-(4-propan-2-yloxynaphthalen-1-yl)cyclohexane-1-carboxamide
CID 100747375
(2S)-2-[[4-(2-chlorophenyl)oxane-4-carbonyl]amino]propanoic acid
CID 119238677
1-(4-methoxyphenyl)-N-(4-propan-2-yloxynaphthalen-1-yl)cyclopentane-1-carboxamide
CID 100744434
N-[4-chloro-2-(difluoromethoxy)phenyl]-4-(2-propan-2-ylphenyl)oxane-4-carboxamide
CID 167456360
1-methoxy-N-(4-propan-2-yloxynaphthalen-1-yl)cyclohexane-1-carboxamide
CID 100756429
4-(2-chlorophenyl)-N-[3,5-dimethyl-4-(2-methylpropoxy)phenyl]oxane-4-carboxamide
CID 100685136
N-[3-(butanoylamino)phenyl]-4-(2-chlorophenyl)oxane-4-carboxamide
CID 86897484
4-(2-chlorophenyl)-N-(2-cyano-4-propoxyphenyl)oxane-4-carboxamide
CID 100749467
N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-1-(4-methylphenyl)cyclohexane-1-carboxamide
CID 100745808
N-(4-ethoxynaphthalen-1-yl)-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 100750314
4-(2-chlorophenyl)-N-(3-cyano-4-ethoxyphenyl)oxane-4-carboxamide
CID 100749425

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-N-(4-propan-2-yloxynaphthalen-1-yl)oxane-4-carboxamide?
The IUPAC name of 4-(2-chlorophenyl)-N-(4-propan-2-yloxynaphthalen-1-yl)oxane-4-carboxamide (CID 100749545) is 4-(2-chlorophenyl)-N-(4-propan-2-yloxynaphthalen-1-yl)oxane-4-carboxamide.
What is the SMILES notation for 4-(2-chlorophenyl)-N-(4-propan-2-yloxynaphthalen-1-yl)oxane-4-carboxamide?
The canonical SMILES for 4-(2-chlorophenyl)-N-(4-propan-2-yloxynaphthalen-1-yl)oxane-4-carboxamide is CC(C)Oc1ccc(NC(=O)C2(c3ccccc3Cl)CCOCC2)c2ccccc12.
What is the InChIKey of 4-(2-chlorophenyl)-N-(4-propan-2-yloxynaphthalen-1-yl)oxane-4-carboxamide?
The InChIKey is CCICTWLONVFUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClNO3/c1-17(2)30-23-12-11-22(18-7-3-4-8-19(18)23)27-24(28)25(13-15-29-16-14-25)20-9-5-6-10-21(20)26/h3-12,17H,13-16H2,1-2H3,(H,27,28).
What are the key properties of 4-(2-chlorophenyl)-N-(4-propan-2-yloxynaphthalen-1-yl)oxane-4-carboxamide?
4-(2-chlorophenyl)-N-(4-propan-2-yloxynaphthalen-1-yl)oxane-4-carboxamide has a molecular weight of 423.94 g/mol, XLogP of 5.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-N-(4-propan-2-yloxynaphthalen-1-yl)oxane-4-carboxamide is sourced from PubChem (CID 100749545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).