N-[(4-chlorophenyl)methyl]-2-hydroxynaphthalene-1-carboxamide

C18H14ClNO2 — CID 142590572

IUPACN-[(4-chlorophenyl)methyl]-2-hydroxynaphthalene-1-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1c(O)ccc2ccccc12
InChIInChI=1S/C18H14ClNO2/c19-14-8-5-12(6-9-14)11-20-18(22)17-15-4-2-1-3-13(15)7-10-16(17)21/h1-10,21H,11H2,(H,20,22)
InChIKeyAUAWSCMZWFULLU-UHFFFAOYSA-N
MW311.77 g/mol
LogP4.13
Rot. Bonds3

About N-[(4-chlorophenyl)methyl]-2-hydroxynaphthalene-1-carboxamide

N-[(4-chlorophenyl)methyl]-2-hydroxynaphthalene-1-carboxamide (PubChem CID 142590572) has the molecular formula C18H14ClNO2 and a molecular weight of 311.77 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-hydroxynaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-hydroxynaphthalene-1-carboxamide
PubChem CID142590572
Molecular FormulaC18H14ClNO2
Molecular Weight311.77 g/mol
Exact Mass311.07
IUPAC NameN-[(4-chlorophenyl)methyl]-2-hydroxynaphthalene-1-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1c(O)ccc2ccccc12
InChIInChI=1S/C18H14ClNO2/c19-14-8-5-12(6-9-14)11-20-18(22)17-15-4-2-1-3-13(15)7-10-16(17)21/h1-10,21H,11H2,(H,20,22)
InChIKeyAUAWSCMZWFULLU-UHFFFAOYSA-N
XLogP4.13
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Hydroxy-N-(2-hydroxyethyl)-2-naphthoamide
CID 66722
4'-Chloro-3-hydroxy-2-naphthanilide
CID 66720
2-Naphthalenecarboxamide, N-(3-chlorophenyl)-3-hydroxy-
CID 79513
Benzamide, N-[(2-hydroxy-1-naphthalenyl)methyl]-
CID 796808
Mls002920688
CID 292314
3-(5-Formyl-6-hydroxy-2-naphthalenyl)-N-(1-methylethyl)benzamide
CID 59599904
3,5-Dihydroxy-naphthalene-2-carboxylic acid 4-chloro-benzylamide
CID 481498
3,7-Dihydroxy-naphthalene-2-carboxylic acid 4-chloro-benzylamide
CID 481500
3-Hydroxy-7-methoxy-naphthalene-2-carboxylic acid 4-chloro-benzylamide
CID 481502
N-cyclohexyl-3-hydroxy-N-methyl-2-naphthamide
CID 2232860
4-chloro-N-(2-{3-[(dimethylamino)methyl]-4-hydroxyphenyl}ethyl)benzamide
CID 596209
N-[4-(4-Chloro-phenyl)-butyl]-2-{[2-(4-hydroxy-phenyl)-ethylamino]-methyl}-benzamide
CID 23544305

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-hydroxynaphthalene-1-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-hydroxynaphthalene-1-carboxamide (CID 142590572) is N-[(4-chlorophenyl)methyl]-2-hydroxynaphthalene-1-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-hydroxynaphthalene-1-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-hydroxynaphthalene-1-carboxamide is O=C(NCc1ccc(Cl)cc1)c1c(O)ccc2ccccc12.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-hydroxynaphthalene-1-carboxamide?
The InChIKey is AUAWSCMZWFULLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO2/c19-14-8-5-12(6-9-14)11-20-18(22)17-15-4-2-1-3-13(15)7-10-16(17)21/h1-10,21H,11H2,(H,20,22).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-hydroxynaphthalene-1-carboxamide?
N-[(4-chlorophenyl)methyl]-2-hydroxynaphthalene-1-carboxamide has a molecular weight of 311.77 g/mol, XLogP of 4.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-hydroxynaphthalene-1-carboxamide is sourced from PubChem (CID 142590572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).