3-[(2-chlorophenyl)methylamino]-5-propan-2-yloxybenzamide

C17H19ClN2O2 — CID 71048980

IUPAC3-[(2-chlorophenyl)methylamino]-5-propan-2-yloxybenzamide
SMILESCC(C)Oc1cc(NCc2ccccc2Cl)cc(C(N)=O)c1
InChIInChI=1S/C17H19ClN2O2/c1-11(2)22-15-8-13(17(19)21)7-14(9-15)20-10-12-5-3-4-6-16(12)18/h3-9,11,20H,10H2,1-2H3,(H2,19,21)
InChIKeySKGPEHIYYVESKQ-UHFFFAOYSA-N
MW318.80 g/mol
LogP3.84
Rot. Bonds6

About 3-[(2-chlorophenyl)methylamino]-5-propan-2-yloxybenzamide

3-[(2-chlorophenyl)methylamino]-5-propan-2-yloxybenzamide (PubChem CID 71048980) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methylamino]-5-propan-2-yloxybenzamide.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methylamino]-5-propan-2-yloxybenzamide
PubChem CID71048980
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name3-[(2-chlorophenyl)methylamino]-5-propan-2-yloxybenzamide
SMILESCC(C)Oc1cc(NCc2ccccc2Cl)cc(C(N)=O)c1
InChIInChI=1S/C17H19ClN2O2/c1-11(2)22-15-8-13(17(19)21)7-14(9-15)20-10-12-5-3-4-6-16(12)18/h3-9,11,20H,10H2,1-2H3,(H2,19,21)
InChIKeySKGPEHIYYVESKQ-UHFFFAOYSA-N
XLogP3.84
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl 4-[(2-chlorophenyl)methylamino]benzoate
CID 43231429
1-[4-[(2-chlorophenyl)methylamino]phenyl]ethanone
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4-[(2-chlorophenyl)methylamino]-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109211753
N-[(2-chlorophenyl)methyl]-N'-(4-propan-2-yloxyphenyl)propanediamide
CID 108946631
3-bromo-5-[(2-chlorophenyl)methylamino]benzoic acid
CID 102822404
3-[(3-chloro-2-fluorophenyl)methylamino]benzamide
CID 115743478
3-[(2-methylphenyl)methylamino]-5-(4-methyl-3-sulfanylpent-3-enoxy)benzamide
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N-[(2-chlorophenyl)methyl]-3-(3-methylbutoxy)aniline
CID 54800547
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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methylamino]-5-propan-2-yloxybenzamide?
The IUPAC name of 3-[(2-chlorophenyl)methylamino]-5-propan-2-yloxybenzamide (CID 71048980) is 3-[(2-chlorophenyl)methylamino]-5-propan-2-yloxybenzamide.
What is the SMILES notation for 3-[(2-chlorophenyl)methylamino]-5-propan-2-yloxybenzamide?
The canonical SMILES for 3-[(2-chlorophenyl)methylamino]-5-propan-2-yloxybenzamide is CC(C)Oc1cc(NCc2ccccc2Cl)cc(C(N)=O)c1.
What is the InChIKey of 3-[(2-chlorophenyl)methylamino]-5-propan-2-yloxybenzamide?
The InChIKey is SKGPEHIYYVESKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-11(2)22-15-8-13(17(19)21)7-14(9-15)20-10-12-5-3-4-6-16(12)18/h3-9,11,20H,10H2,1-2H3,(H2,19,21).
What are the key properties of 3-[(2-chlorophenyl)methylamino]-5-propan-2-yloxybenzamide?
3-[(2-chlorophenyl)methylamino]-5-propan-2-yloxybenzamide has a molecular weight of 318.80 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methylamino]-5-propan-2-yloxybenzamide is sourced from PubChem (CID 71048980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).