4-chloro-2-hydroxy-N-methyl-N-(4-methylpentan-2-yl)benzamide

C14H20ClNO2 — CID 54942659

IUPAC4-chloro-2-hydroxy-N-methyl-N-(4-methylpentan-2-yl)benzamide
SMILESCC(C)CC(C)N(C)C(=O)c1ccc(Cl)cc1O
InChIInChI=1S/C14H20ClNO2/c1-9(2)7-10(3)16(4)14(18)12-6-5-11(15)8-13(12)17/h5-6,8-10,17H,7H2,1-4H3
InChIKeyOVUJUSWFJVWUQH-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.55
Rot. Bonds4

About 4-chloro-2-hydroxy-N-methyl-N-(4-methylpentan-2-yl)benzamide

4-chloro-2-hydroxy-N-methyl-N-(4-methylpentan-2-yl)benzamide (PubChem CID 54942659) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 4-chloro-2-hydroxy-N-methyl-N-(4-methylpentan-2-yl)benzamide.

Molecular Properties

Compound Name4-chloro-2-hydroxy-N-methyl-N-(4-methylpentan-2-yl)benzamide
PubChem CID54942659
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name4-chloro-2-hydroxy-N-methyl-N-(4-methylpentan-2-yl)benzamide
SMILESCC(C)CC(C)N(C)C(=O)c1ccc(Cl)cc1O
InChIInChI=1S/C14H20ClNO2/c1-9(2)7-10(3)16(4)14(18)12-6-5-11(15)8-13(12)17/h5-6,8-10,17H,7H2,1-4H3
InChIKeyOVUJUSWFJVWUQH-UHFFFAOYSA-N
XLogP3.55
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-hydroxy-N-(2-hydroxypropyl)-N-methylbenzamide
CID 62335326
4-chloro-N-(1-cyclopropylethyl)-2-hydroxy-N-methylbenzamide
CID 43420563
4-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-hydroxybenzamide
CID 103189268
N-(2-bromopropyl)-4-chloro-2-hydroxy-N-methylbenzamide
CID 80666240
2-amino-5-hydroxy-N-methyl-N-(4-methylpentan-2-yl)benzamide
CID 107074456
2,3-difluoro-N-methyl-N-(4-methylpentan-2-yl)benzamide
CID 55133305
2,4-dibromo-N-methyl-N-(4-methylpentan-2-yl)benzamide
CID 114019946
4-chloro-N-(2,2-difluoroethyl)-2-hydroxy-N-methylbenzamide
CID 115611590
4-chloro-2-hydroxy-N-methyl-N-(2-methylbutan-2-yl)benzamide
CID 63957648
4-chloro-2-hydroxy-N-(2-hydroxy-4-methylpentyl)benzamide
CID 103819904
4-bromo-N-(1-chloropropan-2-yl)-2-hydroxy-N-methylbenzamide
CID 104555603
N-(2-bromoethyl)-4-chloro-2-hydroxy-N-propan-2-ylbenzamide
CID 80666528

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-hydroxy-N-methyl-N-(4-methylpentan-2-yl)benzamide?
The IUPAC name of 4-chloro-2-hydroxy-N-methyl-N-(4-methylpentan-2-yl)benzamide (CID 54942659) is 4-chloro-2-hydroxy-N-methyl-N-(4-methylpentan-2-yl)benzamide.
What is the SMILES notation for 4-chloro-2-hydroxy-N-methyl-N-(4-methylpentan-2-yl)benzamide?
The canonical SMILES for 4-chloro-2-hydroxy-N-methyl-N-(4-methylpentan-2-yl)benzamide is CC(C)CC(C)N(C)C(=O)c1ccc(Cl)cc1O.
What is the InChIKey of 4-chloro-2-hydroxy-N-methyl-N-(4-methylpentan-2-yl)benzamide?
The InChIKey is OVUJUSWFJVWUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-9(2)7-10(3)16(4)14(18)12-6-5-11(15)8-13(12)17/h5-6,8-10,17H,7H2,1-4H3.
What are the key properties of 4-chloro-2-hydroxy-N-methyl-N-(4-methylpentan-2-yl)benzamide?
4-chloro-2-hydroxy-N-methyl-N-(4-methylpentan-2-yl)benzamide has a molecular weight of 269.77 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-hydroxy-N-methyl-N-(4-methylpentan-2-yl)benzamide is sourced from PubChem (CID 54942659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).