4-chloro-1-hydroxy-N-methyl-N-pentan-2-ylnaphthalene-2-carboxamide

C17H20ClNO2 — CID 167881563

IUPAC4-chloro-1-hydroxy-N-methyl-N-pentan-2-ylnaphthalene-2-carboxamide
SMILESCCCC(C)N(C)C(=O)c1cc(Cl)c2ccccc2c1O
InChIInChI=1S/C17H20ClNO2/c1-4-7-11(2)19(3)17(21)14-10-15(18)12-8-5-6-9-13(12)16(14)20/h5-6,8-11,20H,4,7H2,1-3H3
InChIKeyDBQUXTXRQOWXJG-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.46
Rot. Bonds4

About 4-chloro-1-hydroxy-N-methyl-N-pentan-2-ylnaphthalene-2-carboxamide

4-chloro-1-hydroxy-N-methyl-N-pentan-2-ylnaphthalene-2-carboxamide (PubChem CID 167881563) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is 4-chloro-1-hydroxy-N-methyl-N-pentan-2-ylnaphthalene-2-carboxamide.

Molecular Properties

Compound Name4-chloro-1-hydroxy-N-methyl-N-pentan-2-ylnaphthalene-2-carboxamide
PubChem CID167881563
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC Name4-chloro-1-hydroxy-N-methyl-N-pentan-2-ylnaphthalene-2-carboxamide
SMILESCCCC(C)N(C)C(=O)c1cc(Cl)c2ccccc2c1O
InChIInChI=1S/C17H20ClNO2/c1-4-7-11(2)19(3)17(21)14-10-15(18)12-8-5-6-9-13(12)16(14)20/h5-6,8-11,20H,4,7H2,1-3H3
InChIKeyDBQUXTXRQOWXJG-UHFFFAOYSA-N
XLogP4.46
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-chloro-N-methyl-N-pentan-2-ylisoquinoline-4-carboxamide
CID 106765971
N,2-dimethyl-N-pentan-2-ylbenzamide
CID 71253300
2-hydroxy-N,3-dimethyl-N-pentan-2-ylbenzamide
CID 43430193
3-bromo-2-chloro-N-methyl-N-pentan-2-ylbenzamide
CID 103988617
4-chloro-1-hydroxy-N-methyl-N-[[(3R)-oxolan-3-yl]methyl]naphthalene-2-carboxamide
CID 96562055
2-fluoro-4-hydroxy-N-methyl-N-pentan-2-ylbenzamide
CID 113355617
4-chloro-1-hydroxy-N'-(2-octyldodecanoyl)naphthalene-2-carbohydrazide
CID 20826661
3-bromo-4-chloro-N-methyl-N-pentan-2-ylbenzamide
CID 103841633
2-hydroxy-4-methoxy-N-methyl-N-pentan-2-ylbenzamide
CID 43430281
N-benzyl-4-chloro-1-hydroxynaphthalene-2-carboxamide
CID 20816888
(4-chloro-1-hydroxynaphthalen-2-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110023322
3-[(2-chlorobenzoyl)-methylamino]butanoic acid
CID 82482408

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-hydroxy-N-methyl-N-pentan-2-ylnaphthalene-2-carboxamide?
The IUPAC name of 4-chloro-1-hydroxy-N-methyl-N-pentan-2-ylnaphthalene-2-carboxamide (CID 167881563) is 4-chloro-1-hydroxy-N-methyl-N-pentan-2-ylnaphthalene-2-carboxamide.
What is the SMILES notation for 4-chloro-1-hydroxy-N-methyl-N-pentan-2-ylnaphthalene-2-carboxamide?
The canonical SMILES for 4-chloro-1-hydroxy-N-methyl-N-pentan-2-ylnaphthalene-2-carboxamide is CCCC(C)N(C)C(=O)c1cc(Cl)c2ccccc2c1O.
What is the InChIKey of 4-chloro-1-hydroxy-N-methyl-N-pentan-2-ylnaphthalene-2-carboxamide?
The InChIKey is DBQUXTXRQOWXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-4-7-11(2)19(3)17(21)14-10-15(18)12-8-5-6-9-13(12)16(14)20/h5-6,8-11,20H,4,7H2,1-3H3.
What are the key properties of 4-chloro-1-hydroxy-N-methyl-N-pentan-2-ylnaphthalene-2-carboxamide?
4-chloro-1-hydroxy-N-methyl-N-pentan-2-ylnaphthalene-2-carboxamide has a molecular weight of 305.81 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-hydroxy-N-methyl-N-pentan-2-ylnaphthalene-2-carboxamide is sourced from PubChem (CID 167881563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).