4-chloro-N-[2-[(4-hydroxy-2,2-dimethylbutyl)amino]-2-oxoethyl]benzamide

C15H21ClN2O3 — CID 103825506

IUPAC4-chloro-N-[2-[(4-hydroxy-2,2-dimethylbutyl)amino]-2-oxoethyl]benzamide
SMILESCC(C)(CCO)CNC(=O)CNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O3/c1-15(2,7-8-19)10-18-13(20)9-17-14(21)11-3-5-12(16)6-4-11/h3-6,19H,7-10H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyBFPAPVPCZRTLKR-UHFFFAOYSA-N
MW312.80 g/mol
LogP1.59
Rot. Bonds7

About 4-chloro-N-[2-[(4-hydroxy-2,2-dimethylbutyl)amino]-2-oxoethyl]benzamide

4-chloro-N-[2-[(4-hydroxy-2,2-dimethylbutyl)amino]-2-oxoethyl]benzamide (PubChem CID 103825506) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is 4-chloro-N-[2-[(4-hydroxy-2,2-dimethylbutyl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-[(4-hydroxy-2,2-dimethylbutyl)amino]-2-oxoethyl]benzamide
PubChem CID103825506
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC Name4-chloro-N-[2-[(4-hydroxy-2,2-dimethylbutyl)amino]-2-oxoethyl]benzamide
SMILESCC(C)(CCO)CNC(=O)CNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O3/c1-15(2,7-8-19)10-18-13(20)9-17-14(21)11-3-5-12(16)6-4-11/h3-6,19H,7-10H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyBFPAPVPCZRTLKR-UHFFFAOYSA-N
XLogP1.59
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(4-hydroxy-2,2-dimethylbutyl)benzene-1,4-dicarboxamide
CID 103772906
2-(4-chlorophenyl)sulfanyl-N-(4-hydroxy-2,2-dimethylbutyl)acetamide
CID 103825250
N-[2-[(4-hydroxy-2,2-dimethylbutyl)amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 103825297
4-(aminomethyl)-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 106147923
4-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 103945880
4-chloro-N-[2-[[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]benzamide
CID 83031853
2-anilino-N-(4-hydroxy-2,2-dimethylbutyl)acetamide
CID 106148046
4-chloro-N-(2-hydrazinyl-2-oxoethyl)benzamide
CID 792434
N-(4-hydroxy-2,2-dimethylbutyl)-4-(methoxymethyl)benzamide
CID 103772341
4-[(dimethylamino)methyl]-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 103825036
4-chloro-N-[2-(methoxyamino)-2-oxoethyl]benzamide
CID 60701327
4-tert-butyl-N-[2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-2-oxoethyl]benzamide
CID 26657294

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[(4-hydroxy-2,2-dimethylbutyl)amino]-2-oxoethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-[(4-hydroxy-2,2-dimethylbutyl)amino]-2-oxoethyl]benzamide (CID 103825506) is 4-chloro-N-[2-[(4-hydroxy-2,2-dimethylbutyl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-[(4-hydroxy-2,2-dimethylbutyl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-[(4-hydroxy-2,2-dimethylbutyl)amino]-2-oxoethyl]benzamide is CC(C)(CCO)CNC(=O)CNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-[(4-hydroxy-2,2-dimethylbutyl)amino]-2-oxoethyl]benzamide?
The InChIKey is BFPAPVPCZRTLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-15(2,7-8-19)10-18-13(20)9-17-14(21)11-3-5-12(16)6-4-11/h3-6,19H,7-10H2,1-2H3,(H,17,21)(H,18,20).
What are the key properties of 4-chloro-N-[2-[(4-hydroxy-2,2-dimethylbutyl)amino]-2-oxoethyl]benzamide?
4-chloro-N-[2-[(4-hydroxy-2,2-dimethylbutyl)amino]-2-oxoethyl]benzamide has a molecular weight of 312.80 g/mol, XLogP of 1.59, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[(4-hydroxy-2,2-dimethylbutyl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 103825506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).