4-amino-5-chloro-2-methoxy-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide;hydrochloride

C14H21Cl2N3O3 — CID 119691121

IUPAC4-amino-5-chloro-2-methoxy-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide;hydrochloride
SMILESCOc1cc(N)c(Cl)cc1C(=O)N(C)CC(=O)NC(C)C.Cl
InChIInChI=1S/C14H20ClN3O3.ClH/c1-8(2)17-13(19)7-18(3)14(20)9-5-10(15)11(16)6-12(9)21-4;/h5-6,8H,7,16H2,1-4H3,(H,17,19);1H
InChIKeyQSBLCTUKICKUQB-UHFFFAOYSA-N
MW350.25 g/mol
LogP1.95
Rot. Bonds5

About 4-amino-5-chloro-2-methoxy-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide;hydrochloride

4-amino-5-chloro-2-methoxy-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide;hydrochloride (PubChem CID 119691121) has the molecular formula C14H21Cl2N3O3 and a molecular weight of 350.25 g/mol. Its IUPAC name is 4-amino-5-chloro-2-methoxy-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-amino-5-chloro-2-methoxy-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide;hydrochloride
PubChem CID119691121
Molecular FormulaC14H21Cl2N3O3
Molecular Weight350.25 g/mol
Exact Mass349.10
IUPAC Name4-amino-5-chloro-2-methoxy-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide;hydrochloride
SMILESCOc1cc(N)c(Cl)cc1C(=O)N(C)CC(=O)NC(C)C.Cl
InChIInChI=1S/C14H20ClN3O3.ClH/c1-8(2)17-13(19)7-18(3)14(20)9-5-10(15)11(16)6-12(9)21-4;/h5-6,8H,7,16H2,1-4H3,(H,17,19);1H
InChIKeyQSBLCTUKICKUQB-UHFFFAOYSA-N
XLogP1.95
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.25
LogP ≤ 51.95
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

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4-amino-2-chloro-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
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4-amino-5-chloro-2-methoxy-N-[4-(3-methylbutanoylamino)phenyl]benzamide;hydrochloride
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4-amino-5-chloro-2-methoxy-N,N-bis(2-methoxyethyl)benzamide
CID 119672646
ethyl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-methylpropanoate;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-2-methoxy-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide;hydrochloride?
The IUPAC name of 4-amino-5-chloro-2-methoxy-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide;hydrochloride (CID 119691121) is 4-amino-5-chloro-2-methoxy-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide;hydrochloride.
What is the SMILES notation for 4-amino-5-chloro-2-methoxy-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide;hydrochloride?
The canonical SMILES for 4-amino-5-chloro-2-methoxy-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide;hydrochloride is COc1cc(N)c(Cl)cc1C(=O)N(C)CC(=O)NC(C)C.Cl.
What is the InChIKey of 4-amino-5-chloro-2-methoxy-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide;hydrochloride?
The InChIKey is QSBLCTUKICKUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O3.ClH/c1-8(2)17-13(19)7-18(3)14(20)9-5-10(15)11(16)6-12(9)21-4;/h5-6,8H,7,16H2,1-4H3,(H,17,19);1H.
What are the key properties of 4-amino-5-chloro-2-methoxy-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide;hydrochloride?
4-amino-5-chloro-2-methoxy-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide;hydrochloride has a molecular weight of 350.25 g/mol, XLogP of 1.95, 5 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-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide;hydrochloride is sourced from PubChem (CID 119691121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).