4-[(3-chloro-2-hydroxypropyl)amino]-3-methyl-N-(2-methylpropyl)benzamide

C15H23ClN2O2 — CID 168637114

IUPAC4-[(3-chloro-2-hydroxypropyl)amino]-3-methyl-N-(2-methylpropyl)benzamide
SMILESCc1cc(C(=O)NCC(C)C)ccc1NCC(O)CCl
InChIInChI=1S/C15H23ClN2O2/c1-10(2)8-18-15(20)12-4-5-14(11(3)6-12)17-9-13(19)7-16/h4-6,10,13,17,19H,7-9H2,1-3H3,(H,18,20)
InChIKeySTRLOXNCCPSLGL-UHFFFAOYSA-N
MW298.81 g/mol
LogP2.39
Rot. Bonds7

About 4-[(3-chloro-2-hydroxypropyl)amino]-3-methyl-N-(2-methylpropyl)benzamide

4-[(3-chloro-2-hydroxypropyl)amino]-3-methyl-N-(2-methylpropyl)benzamide (PubChem CID 168637114) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 4-[(3-chloro-2-hydroxypropyl)amino]-3-methyl-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name4-[(3-chloro-2-hydroxypropyl)amino]-3-methyl-N-(2-methylpropyl)benzamide
PubChem CID168637114
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name4-[(3-chloro-2-hydroxypropyl)amino]-3-methyl-N-(2-methylpropyl)benzamide
SMILESCc1cc(C(=O)NCC(C)C)ccc1NCC(O)CCl
InChIInChI=1S/C15H23ClN2O2/c1-10(2)8-18-15(20)12-4-5-14(11(3)6-12)17-9-13(19)7-16/h4-6,10,13,17,19H,7-9H2,1-3H3,(H,18,20)
InChIKeySTRLOXNCCPSLGL-UHFFFAOYSA-N
XLogP2.39
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-[(3-chloro-2-hydroxypropyl)amino]-4-methyl-N-(2-methylpropyl)benzamide
CID 168637118
3-methyl-N-(2-methylpropyl)-4-(3,4,4-trimethylpentanoylamino)benzamide
CID 86901347
N-[2-(dimethylamino)propyl]-4-(ethylamino)-3-methylbenzamide
CID 63213540
N-ethyl-3-methyl-4-(2-methylpropylcarbamoylamino)benzamide
CID 47264617
4-[[2-(2-acetylanilino)-2-oxoethyl]amino]-3-methyl-N-(2-methylpropyl)benzamide
CID 49433503
2-methyl-5-(2-methylpropylcarbamoyl)benzenesulfonyl chloride
CID 65367998
3-methyl-N-(2-methylpropyl)-4-(oxan-3-ylmethylamino)benzamide
CID 132970891
4-[2-(2-fluorophenoxy)ethylamino]-3-methyl-N-(2-methylpropyl)benzamide
CID 60606761
3-methyl-4-(propylamino)-N-(2,3,3-trimethylbutyl)benzamide
CID 83145027
N-(3-chloro-2-methylpropyl)-4-hydroxy-3-methylbenzamide
CID 107673039
4-N-(4-bromo-2-methylphenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043990
3-chloro-N-(2-hydroxy-4-methylpentyl)-4-methylbenzamide
CID 103770930

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-2-hydroxypropyl)amino]-3-methyl-N-(2-methylpropyl)benzamide?
The IUPAC name of 4-[(3-chloro-2-hydroxypropyl)amino]-3-methyl-N-(2-methylpropyl)benzamide (CID 168637114) is 4-[(3-chloro-2-hydroxypropyl)amino]-3-methyl-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 4-[(3-chloro-2-hydroxypropyl)amino]-3-methyl-N-(2-methylpropyl)benzamide?
The canonical SMILES for 4-[(3-chloro-2-hydroxypropyl)amino]-3-methyl-N-(2-methylpropyl)benzamide is Cc1cc(C(=O)NCC(C)C)ccc1NCC(O)CCl.
What is the InChIKey of 4-[(3-chloro-2-hydroxypropyl)amino]-3-methyl-N-(2-methylpropyl)benzamide?
The InChIKey is STRLOXNCCPSLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-10(2)8-18-15(20)12-4-5-14(11(3)6-12)17-9-13(19)7-16/h4-6,10,13,17,19H,7-9H2,1-3H3,(H,18,20).
What are the key properties of 4-[(3-chloro-2-hydroxypropyl)amino]-3-methyl-N-(2-methylpropyl)benzamide?
4-[(3-chloro-2-hydroxypropyl)amino]-3-methyl-N-(2-methylpropyl)benzamide has a molecular weight of 298.81 g/mol, XLogP of 2.39, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-2-hydroxypropyl)amino]-3-methyl-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 168637114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).