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

C17H19ClN2O2 — CID 168638185

IUPAC3-[(3-chloro-2-hydroxypropyl)amino]-N-(4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(NCC(O)CCl)c2)cc1
InChIInChI=1S/C17H19ClN2O2/c1-12-5-7-14(8-6-12)20-17(22)13-3-2-4-15(9-13)19-11-16(21)10-18/h2-9,16,19,21H,10-11H2,1H3,(H,20,22)
InChIKeyNAMCQRYFHQRERQ-UHFFFAOYSA-N
MW318.80 g/mol
LogP3.26
Rot. Bonds6

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

3-[(3-chloro-2-hydroxypropyl)amino]-N-(4-methylphenyl)benzamide (PubChem CID 168638185) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 3-[(3-chloro-2-hydroxypropyl)amino]-N-(4-methylphenyl)benzamide.

Molecular Properties

Compound Name3-[(3-chloro-2-hydroxypropyl)amino]-N-(4-methylphenyl)benzamide
PubChem CID168638185
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name3-[(3-chloro-2-hydroxypropyl)amino]-N-(4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(NCC(O)CCl)c2)cc1
InChIInChI=1S/C17H19ClN2O2/c1-12-5-7-14(8-6-12)20-17(22)13-3-2-4-15(9-13)19-11-16(21)10-18/h2-9,16,19,21H,10-11H2,1H3,(H,20,22)
InChIKeyNAMCQRYFHQRERQ-UHFFFAOYSA-N
XLogP3.26
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 53.26
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]-N-(2-methylphenyl)benzamide
CID 168638216
N-[3-[(3-chloro-2-hydroxypropyl)amino]phenyl]benzamide
CID 168636757
N-benzyl-3-[(3-chloro-2-hydroxypropyl)amino]benzamide
CID 168639394
3-[(3-chloro-2-hydroxypropyl)amino]-N,N-diethylbenzamide
CID 168637498
3-[(3-chloro-2-hydroxypropyl)amino]-N-(4-methylphenyl)benzenesulfonamide
CID 168637649
3-chloro-N-(4-methylphenyl)benzamide
CID 722375
3-(2,3-dihydroxypropylamino)-N-(2-methylphenyl)benzamide
CID 168596635
3-hydroxy-N-(4-methylphenyl)benzamide
CID 10900357
N-(2,6-diethylphenyl)-3-(2,3-dihydroxypropylamino)benzamide
CID 168594455
3-bromo-N-[4-[(4-methylbenzoyl)amino]phenyl]benzamide
CID 2844876
3-N-(4-aminophenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide
CID 158719298
3-(2,3-dihydroxypropylamino)-N-pyridin-3-ylbenzamide
CID 168597603

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-2-hydroxypropyl)amino]-N-(4-methylphenyl)benzamide?
The IUPAC name of 3-[(3-chloro-2-hydroxypropyl)amino]-N-(4-methylphenyl)benzamide (CID 168638185) is 3-[(3-chloro-2-hydroxypropyl)amino]-N-(4-methylphenyl)benzamide.
What is the SMILES notation for 3-[(3-chloro-2-hydroxypropyl)amino]-N-(4-methylphenyl)benzamide?
The canonical SMILES for 3-[(3-chloro-2-hydroxypropyl)amino]-N-(4-methylphenyl)benzamide is Cc1ccc(NC(=O)c2cccc(NCC(O)CCl)c2)cc1.
What is the InChIKey of 3-[(3-chloro-2-hydroxypropyl)amino]-N-(4-methylphenyl)benzamide?
The InChIKey is NAMCQRYFHQRERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-12-5-7-14(8-6-12)20-17(22)13-3-2-4-15(9-13)19-11-16(21)10-18/h2-9,16,19,21H,10-11H2,1H3,(H,20,22).
What are the key properties of 3-[(3-chloro-2-hydroxypropyl)amino]-N-(4-methylphenyl)benzamide?
3-[(3-chloro-2-hydroxypropyl)amino]-N-(4-methylphenyl)benzamide has a molecular weight of 318.80 g/mol, XLogP of 3.26, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-2-hydroxypropyl)amino]-N-(4-methylphenyl)benzamide is sourced from PubChem (CID 168638185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).