N-[(2-chlorophenyl)methyl]-4-(3-methylbutoxy)naphthalene-2-carboxamide

C23H24ClNO2 — CID 162669912

IUPACN-[(2-chlorophenyl)methyl]-4-(3-methylbutoxy)naphthalene-2-carboxamide
SMILESCC(C)CCOc1cc(C(=O)NCc2ccccc2Cl)cc2ccccc12
InChIInChI=1S/C23H24ClNO2/c1-16(2)11-12-27-22-14-19(13-17-7-3-5-9-20(17)22)23(26)25-15-18-8-4-6-10-21(18)24/h3-10,13-14,16H,11-12,15H2,1-2H3,(H,25,26)
InChIKeyLYHXZAPYBALSNV-UHFFFAOYSA-N
MW381.90 g/mol
LogP5.85
Rot. Bonds7

About N-[(2-chlorophenyl)methyl]-4-(3-methylbutoxy)naphthalene-2-carboxamide

N-[(2-chlorophenyl)methyl]-4-(3-methylbutoxy)naphthalene-2-carboxamide (PubChem CID 162669912) has the molecular formula C23H24ClNO2 and a molecular weight of 381.90 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-(3-methylbutoxy)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4-(3-methylbutoxy)naphthalene-2-carboxamide
PubChem CID162669912
Molecular FormulaC23H24ClNO2
Molecular Weight381.90 g/mol
Exact Mass381.15
IUPAC NameN-[(2-chlorophenyl)methyl]-4-(3-methylbutoxy)naphthalene-2-carboxamide
SMILESCC(C)CCOc1cc(C(=O)NCc2ccccc2Cl)cc2ccccc12
InChIInChI=1S/C23H24ClNO2/c1-16(2)11-12-27-22-14-19(13-17-7-3-5-9-20(17)22)23(26)25-15-18-8-4-6-10-21(18)24/h3-10,13-14,16H,11-12,15H2,1-2H3,(H,25,26)
InChIKeyLYHXZAPYBALSNV-UHFFFAOYSA-N
XLogP5.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.90
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-(3-methylbutoxy)naphthalene-2-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4-(3-methylbutoxy)naphthalene-2-carboxamide (CID 162669912) is N-[(2-chlorophenyl)methyl]-4-(3-methylbutoxy)naphthalene-2-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-(3-methylbutoxy)naphthalene-2-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-(3-methylbutoxy)naphthalene-2-carboxamide is CC(C)CCOc1cc(C(=O)NCc2ccccc2Cl)cc2ccccc12.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-(3-methylbutoxy)naphthalene-2-carboxamide?
The InChIKey is LYHXZAPYBALSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClNO2/c1-16(2)11-12-27-22-14-19(13-17-7-3-5-9-20(17)22)23(26)25-15-18-8-4-6-10-21(18)24/h3-10,13-14,16H,11-12,15H2,1-2H3,(H,25,26).
What are the key properties of N-[(2-chlorophenyl)methyl]-4-(3-methylbutoxy)naphthalene-2-carboxamide?
N-[(2-chlorophenyl)methyl]-4-(3-methylbutoxy)naphthalene-2-carboxamide has a molecular weight of 381.90 g/mol, XLogP of 5.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-4-(3-methylbutoxy)naphthalene-2-carboxamide is sourced from PubChem (CID 162669912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).