4-amino-5-chloro-2-methoxy-N-[1-(3-methylphenoxy)propan-2-yl]benzamide;hydrochloride

C18H22Cl2N2O3 — CID 119742833

IUPAC4-amino-5-chloro-2-methoxy-N-[1-(3-methylphenoxy)propan-2-yl]benzamide;hydrochloride
SMILESCOc1cc(N)c(Cl)cc1C(=O)NC(C)COc1cccc(C)c1.Cl
InChIInChI=1S/C18H21ClN2O3.ClH/c1-11-5-4-6-13(7-11)24-10-12(2)21-18(22)14-8-15(19)16(20)9-17(14)23-3;/h4-9,12H,10,20H2,1-3H3,(H,21,22);1H
InChIKeyGIRDMIZQRNHXTE-UHFFFAOYSA-N
MW385.29 g/mol
LogP3.86
Rot. Bonds6

About 4-amino-5-chloro-2-methoxy-N-[1-(3-methylphenoxy)propan-2-yl]benzamide;hydrochloride

4-amino-5-chloro-2-methoxy-N-[1-(3-methylphenoxy)propan-2-yl]benzamide;hydrochloride (PubChem CID 119742833) has the molecular formula C18H22Cl2N2O3 and a molecular weight of 385.29 g/mol. Its IUPAC name is 4-amino-5-chloro-2-methoxy-N-[1-(3-methylphenoxy)propan-2-yl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-amino-5-chloro-2-methoxy-N-[1-(3-methylphenoxy)propan-2-yl]benzamide;hydrochloride
PubChem CID119742833
Molecular FormulaC18H22Cl2N2O3
Molecular Weight385.29 g/mol
Exact Mass384.10
IUPAC Name4-amino-5-chloro-2-methoxy-N-[1-(3-methylphenoxy)propan-2-yl]benzamide;hydrochloride
SMILESCOc1cc(N)c(Cl)cc1C(=O)NC(C)COc1cccc(C)c1.Cl
InChIInChI=1S/C18H21ClN2O3.ClH/c1-11-5-4-6-13(7-11)24-10-12(2)21-18(22)14-8-15(19)16(20)9-17(14)23-3;/h4-9,12H,10,20H2,1-3H3,(H,21,22);1H
InChIKeyGIRDMIZQRNHXTE-UHFFFAOYSA-N
XLogP3.86
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.29
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-5-chloro-2-methoxy-N-(1-phenylmethoxypropan-2-yl)benzamide
CID 119804080
4-amino-5-chloro-N-(5,5-dimethylhexan-2-yl)-2-methoxybenzamide;hydrochloride
CID 119796577
4-amino-5-chloro-2-methoxy-N-propan-2-ylbenzamide
CID 70318142
4-amino-5-chloro-N-(5-hydroxypentan-2-yl)-2-methoxybenzamide
CID 119790445
4-amino-5-chloro-2-methoxy-N-(3-methylpentan-2-yl)benzamide
CID 119744569
4-amino-5-chloro-2-methoxy-N-[3-(3-methoxyphenoxy)propyl]benzamide;hydrochloride
CID 119797688
methyl 2-[[(4-amino-5-chloro-2-methoxybenzoyl)amino]methyl]-3-(3-methylphenyl)propanoate;hydrochloride
CID 119778002
4-(aminomethyl)-N-[1-(3-methylphenoxy)propan-2-yl]benzamide
CID 119300010
4-amino-5-chloro-2-methoxy-N-[4-(3-methylbutanoylamino)phenyl]benzamide;hydrochloride
CID 119703658
ethyl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-methylpropanoate;hydrochloride
CID 119789268
4-amino-5-chloro-N-[2-(2,6-dimethylphenoxy)ethyl]-2-methoxybenzamide
CID 119734954
4-amino-5-chloro-2-methoxy-N-[4-methyl-3-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 119780348

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-2-methoxy-N-[1-(3-methylphenoxy)propan-2-yl]benzamide;hydrochloride?
The IUPAC name of 4-amino-5-chloro-2-methoxy-N-[1-(3-methylphenoxy)propan-2-yl]benzamide;hydrochloride (CID 119742833) is 4-amino-5-chloro-2-methoxy-N-[1-(3-methylphenoxy)propan-2-yl]benzamide;hydrochloride.
What is the SMILES notation for 4-amino-5-chloro-2-methoxy-N-[1-(3-methylphenoxy)propan-2-yl]benzamide;hydrochloride?
The canonical SMILES for 4-amino-5-chloro-2-methoxy-N-[1-(3-methylphenoxy)propan-2-yl]benzamide;hydrochloride is COc1cc(N)c(Cl)cc1C(=O)NC(C)COc1cccc(C)c1.Cl.
What is the InChIKey of 4-amino-5-chloro-2-methoxy-N-[1-(3-methylphenoxy)propan-2-yl]benzamide;hydrochloride?
The InChIKey is GIRDMIZQRNHXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3.ClH/c1-11-5-4-6-13(7-11)24-10-12(2)21-18(22)14-8-15(19)16(20)9-17(14)23-3;/h4-9,12H,10,20H2,1-3H3,(H,21,22);1H.
What are the key properties of 4-amino-5-chloro-2-methoxy-N-[1-(3-methylphenoxy)propan-2-yl]benzamide;hydrochloride?
4-amino-5-chloro-2-methoxy-N-[1-(3-methylphenoxy)propan-2-yl]benzamide;hydrochloride has a molecular weight of 385.29 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-2-methoxy-N-[1-(3-methylphenoxy)propan-2-yl]benzamide;hydrochloride is sourced from PubChem (CID 119742833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).