N-(1-amino-2-methylpropan-2-yl)-3-[(3-chlorophenyl)methoxy]benzamide

C18H21ClN2O2 — CID 119521607

IUPACN-(1-amino-2-methylpropan-2-yl)-3-[(3-chlorophenyl)methoxy]benzamide
SMILESCC(C)(CN)NC(=O)c1cccc(OCc2cccc(Cl)c2)c1
InChIInChI=1S/C18H21ClN2O2/c1-18(2,12-20)21-17(22)14-6-4-8-16(10-14)23-11-13-5-3-7-15(19)9-13/h3-10H,11-12,20H2,1-2H3,(H,21,22)
InChIKeyHAZDAQRPXJLISK-UHFFFAOYSA-N
MW332.83 g/mol
LogP3.39
Rot. Bonds6

About N-(1-amino-2-methylpropan-2-yl)-3-[(3-chlorophenyl)methoxy]benzamide

N-(1-amino-2-methylpropan-2-yl)-3-[(3-chlorophenyl)methoxy]benzamide (PubChem CID 119521607) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-3-[(3-chlorophenyl)methoxy]benzamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-3-[(3-chlorophenyl)methoxy]benzamide
PubChem CID119521607
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-3-[(3-chlorophenyl)methoxy]benzamide
SMILESCC(C)(CN)NC(=O)c1cccc(OCc2cccc(Cl)c2)c1
InChIInChI=1S/C18H21ClN2O2/c1-18(2,12-20)21-17(22)14-6-4-8-16(10-14)23-11-13-5-3-7-15(19)9-13/h3-10H,11-12,20H2,1-2H3,(H,21,22)
InChIKeyHAZDAQRPXJLISK-UHFFFAOYSA-N
XLogP3.39
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide;dihydrochloride
CID 119522184
N-(1-amino-2-cyclopropylpropan-2-yl)-3-[(3-methylphenyl)methoxy]benzamide
CID 119575218
O-methyl 3-[(3-chlorophenyl)methoxy]benzenecarbothioate
CID 19768753
N-(1-aminooxy-2-methylpropan-2-yl)-3-chlorobenzamide
CID 39347226
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CID 119405733
3-[(3-chlorophenyl)methoxy]-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
CID 60572586
N-[3-(aminomethyl)pentan-3-yl]-3-(pyridin-3-ylmethoxy)benzamide;dihydrochloride
CID 119569679
3-[(3,4-dichlorophenyl)methoxy]benzohydrazide
CID 91682824
N-(1-amino-2-methylpropan-2-yl)-3-methylbenzamide;hydrochloride
CID 119523789
3-N-(1-amino-2-methylpropan-2-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 119523948
4-[(3-chlorophenoxy)methyl]benzohydrazide
CID 7022246

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-3-[(3-chlorophenyl)methoxy]benzamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-3-[(3-chlorophenyl)methoxy]benzamide (CID 119521607) is N-(1-amino-2-methylpropan-2-yl)-3-[(3-chlorophenyl)methoxy]benzamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-3-[(3-chlorophenyl)methoxy]benzamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-3-[(3-chlorophenyl)methoxy]benzamide is CC(C)(CN)NC(=O)c1cccc(OCc2cccc(Cl)c2)c1.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-3-[(3-chlorophenyl)methoxy]benzamide?
The InChIKey is HAZDAQRPXJLISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-18(2,12-20)21-17(22)14-6-4-8-16(10-14)23-11-13-5-3-7-15(19)9-13/h3-10H,11-12,20H2,1-2H3,(H,21,22).
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-3-[(3-chlorophenyl)methoxy]benzamide?
N-(1-amino-2-methylpropan-2-yl)-3-[(3-chlorophenyl)methoxy]benzamide has a molecular weight of 332.83 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-3-[(3-chlorophenyl)methoxy]benzamide is sourced from PubChem (CID 119521607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).