4-[3-amino-4-(3-chlorophenyl)-4-hydroxy-2-methylbutyl]benzamide

C18H21ClN2O2 — CID 67671664

IUPAC4-[3-amino-4-(3-chlorophenyl)-4-hydroxy-2-methylbutyl]benzamide
SMILESCC(Cc1ccc(C(N)=O)cc1)C(N)C(O)c1cccc(Cl)c1
InChIInChI=1S/C18H21ClN2O2/c1-11(9-12-5-7-13(8-6-12)18(21)23)16(20)17(22)14-3-2-4-15(19)10-14/h2-8,10-11,16-17,22H,9,20H2,1H3,(H2,21,23)
InChIKeyYWAFPCPZWQBSQP-UHFFFAOYSA-N
MW332.83 g/mol
LogP2.68
Rot. Bonds6

About 4-[3-amino-4-(3-chlorophenyl)-4-hydroxy-2-methylbutyl]benzamide

4-[3-amino-4-(3-chlorophenyl)-4-hydroxy-2-methylbutyl]benzamide (PubChem CID 67671664) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 4-[3-amino-4-(3-chlorophenyl)-4-hydroxy-2-methylbutyl]benzamide.

Molecular Properties

Compound Name4-[3-amino-4-(3-chlorophenyl)-4-hydroxy-2-methylbutyl]benzamide
PubChem CID67671664
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name4-[3-amino-4-(3-chlorophenyl)-4-hydroxy-2-methylbutyl]benzamide
SMILESCC(Cc1ccc(C(N)=O)cc1)C(N)C(O)c1cccc(Cl)c1
InChIInChI=1S/C18H21ClN2O2/c1-11(9-12-5-7-13(8-6-12)18(21)23)16(20)17(22)14-3-2-4-15(19)10-14/h2-8,10-11,16-17,22H,9,20H2,1H3,(H2,21,23)
InChIKeyYWAFPCPZWQBSQP-UHFFFAOYSA-N
XLogP2.68
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]benzamide
CID 18628146
(1R,2R)-2-amino-1-(3-chlorophenyl)-4-(3-methoxyphenyl)-3-methylbutan-1-ol
CID 67671579
(1R,2R)-2-amino-4-(2-chlorophenyl)-1-(3-chlorophenyl)-3-methylbutan-1-ol
CID 67673909
4-[(3R,4R)-3-amino-4-hydroxy-2-methyl-4-phenylbutyl]-N,N-dimethylbenzamide
CID 67672480
(1S,2S)-2-amino-1-(3-chlorophenyl)propan-1-ol
CID 28743755
(1R,2S)-2-amino-1-(3-chlorophenyl)propan-1-ol
CID 28743759
(1R)-1-(3-chlorophenyl)-2-methylpropan-1-ol
CID 93312224
4-[1-(3-chlorophenyl)propylamino]benzamide
CID 43192997
(2R)-2-amino-2-(3-chlorophenyl)acetamide
CID 11286873
ethyl 2-[(3-chlorophenyl)-hydroxymethyl]-3-methylbutanoate
CID 62396786
2-amino-1-(3-chlorophenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 123406451
(2R)-2-amino-1-(3-chlorophenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 89490748

Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-4-(3-chlorophenyl)-4-hydroxy-2-methylbutyl]benzamide?
The IUPAC name of 4-[3-amino-4-(3-chlorophenyl)-4-hydroxy-2-methylbutyl]benzamide (CID 67671664) is 4-[3-amino-4-(3-chlorophenyl)-4-hydroxy-2-methylbutyl]benzamide.
What is the SMILES notation for 4-[3-amino-4-(3-chlorophenyl)-4-hydroxy-2-methylbutyl]benzamide?
The canonical SMILES for 4-[3-amino-4-(3-chlorophenyl)-4-hydroxy-2-methylbutyl]benzamide is CC(Cc1ccc(C(N)=O)cc1)C(N)C(O)c1cccc(Cl)c1.
What is the InChIKey of 4-[3-amino-4-(3-chlorophenyl)-4-hydroxy-2-methylbutyl]benzamide?
The InChIKey is YWAFPCPZWQBSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-11(9-12-5-7-13(8-6-12)18(21)23)16(20)17(22)14-3-2-4-15(19)10-14/h2-8,10-11,16-17,22H,9,20H2,1H3,(H2,21,23).
What are the key properties of 4-[3-amino-4-(3-chlorophenyl)-4-hydroxy-2-methylbutyl]benzamide?
4-[3-amino-4-(3-chlorophenyl)-4-hydroxy-2-methylbutyl]benzamide has a molecular weight of 332.83 g/mol, XLogP of 2.68, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-amino-4-(3-chlorophenyl)-4-hydroxy-2-methylbutyl]benzamide is sourced from PubChem (CID 67671664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).