4-chloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide

C14H20ClNO2 — CID 103941003

IUPAC4-chloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
SMILESCC(C)(C)C(CCO)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO2/c1-14(2,3)12(8-9-17)16-13(18)10-4-6-11(15)7-5-10/h4-7,12,17H,8-9H2,1-3H3,(H,16,18)
InChIKeyWYSWJFCBYCJIGP-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.87
Rot. Bonds4

About 4-chloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide

4-chloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide (PubChem CID 103941003) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 4-chloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
PubChem CID103941003
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name4-chloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
SMILESCC(C)(C)C(CCO)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO2/c1-14(2,3)12(8-9-17)16-13(18)10-4-6-11(15)7-5-10/h4-7,12,17H,8-9H2,1-3H3,(H,16,18)
InChIKeyWYSWJFCBYCJIGP-UHFFFAOYSA-N
XLogP2.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-propan-2-ylbenzamide
CID 106353051
5-chloro-2-fluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 103941089
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methylsulfonylbenzamide
CID 103940884
3-amino-5-chloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 106347896
3-hydroxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-iodobenzamide
CID 104630338
5-chloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-nitrobenzamide
CID 106349358
N-(1-amino-4,4-dimethylpentan-3-yl)-4-methylbenzamide
CID 114178197
3-amino-4,5-dichloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 106347840
2-fluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-5-sulfanylbenzamide
CID 106357978
4-bromo-N-(1-chloro-4,4-dimethylpentan-3-yl)benzamide
CID 106355822
3-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 106347915
N-(1-chloro-4,4-dimethylpentan-3-yl)-4-ethylbenzamide
CID 106355559

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide?
The IUPAC name of 4-chloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide (CID 103941003) is 4-chloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide?
The canonical SMILES for 4-chloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide is CC(C)(C)C(CCO)NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide?
The InChIKey is WYSWJFCBYCJIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-14(2,3)12(8-9-17)16-13(18)10-4-6-11(15)7-5-10/h4-7,12,17H,8-9H2,1-3H3,(H,16,18).
What are the key properties of 4-chloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide?
4-chloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide has a molecular weight of 269.77 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide is sourced from PubChem (CID 103941003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).