4-amino-5-chloro-2-methoxy-N-methyl-N-(3,4,5-trimethoxyphenyl)benzamide

C18H21ClN2O5 — CID 119802021

IUPAC4-amino-5-chloro-2-methoxy-N-methyl-N-(3,4,5-trimethoxyphenyl)benzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)N(C)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C18H21ClN2O5/c1-21(10-6-15(24-3)17(26-5)16(7-10)25-4)18(22)11-8-12(19)13(20)9-14(11)23-2/h6-9H,20H2,1-5H3
InChIKeySXTJGCDWBMTYIT-UHFFFAOYSA-N
MW380.83 g/mol
LogP3.23
Rot. Bonds6

About 4-amino-5-chloro-2-methoxy-N-methyl-N-(3,4,5-trimethoxyphenyl)benzamide

4-amino-5-chloro-2-methoxy-N-methyl-N-(3,4,5-trimethoxyphenyl)benzamide (PubChem CID 119802021) has the molecular formula C18H21ClN2O5 and a molecular weight of 380.83 g/mol. Its IUPAC name is 4-amino-5-chloro-2-methoxy-N-methyl-N-(3,4,5-trimethoxyphenyl)benzamide.

Molecular Properties

Compound Name4-amino-5-chloro-2-methoxy-N-methyl-N-(3,4,5-trimethoxyphenyl)benzamide
PubChem CID119802021
Molecular FormulaC18H21ClN2O5
Molecular Weight380.83 g/mol
Exact Mass380.11
IUPAC Name4-amino-5-chloro-2-methoxy-N-methyl-N-(3,4,5-trimethoxyphenyl)benzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)N(C)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C18H21ClN2O5/c1-21(10-6-15(24-3)17(26-5)16(7-10)25-4)18(22)11-8-12(19)13(20)9-14(11)23-2/h6-9H,20H2,1-5H3
InChIKeySXTJGCDWBMTYIT-UHFFFAOYSA-N
XLogP3.23
TPSA83.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.83
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-amino-5-chloro-2-methoxy-N-methyl-N-(3-propan-2-ylphenyl)benzamide
CID 119752988
4-amino-5-chloro-N-(2-hydroxy-2-methylpropyl)-2-methoxy-N-methylbenzamide
CID 90103674
sodium 4-amino-5-chloro-2-methoxybenzoate
CID 24820370
4-amino-5-chloro-2-methoxy-N,N-bis(2-methoxyethyl)benzamide
CID 119672646
4-amino-N-tert-butyl-5-chloro-2-methoxy-N-phenylbenzamide
CID 90104796
4-amino-5-chloro-2-methoxy-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide;hydrochloride
CID 119689180
2-(dimethylamino)ethyl 4-amino-5-chloro-2-methoxybenzoate
CID 10802184
4-amino-5-chloro-2-methoxy-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide;hydrochloride
CID 119691121
4-amino-5-chloro-2-methoxy-N-propan-2-ylbenzamide
CID 70318142
4-amino-5-chloro-2-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide;hydrochloride
CID 119958197
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 4-amino-5-chloro-2-methoxybenzoate
CID 7414207
4-amino-5-chloro-N-[2-(dimethylamino)-4-methylpentyl]-2-methoxybenzamide;dihydrochloride
CID 119841843

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-2-methoxy-N-methyl-N-(3,4,5-trimethoxyphenyl)benzamide?
The IUPAC name of 4-amino-5-chloro-2-methoxy-N-methyl-N-(3,4,5-trimethoxyphenyl)benzamide (CID 119802021) is 4-amino-5-chloro-2-methoxy-N-methyl-N-(3,4,5-trimethoxyphenyl)benzamide.
What is the SMILES notation for 4-amino-5-chloro-2-methoxy-N-methyl-N-(3,4,5-trimethoxyphenyl)benzamide?
The canonical SMILES for 4-amino-5-chloro-2-methoxy-N-methyl-N-(3,4,5-trimethoxyphenyl)benzamide is COc1cc(N)c(Cl)cc1C(=O)N(C)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 4-amino-5-chloro-2-methoxy-N-methyl-N-(3,4,5-trimethoxyphenyl)benzamide?
The InChIKey is SXTJGCDWBMTYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O5/c1-21(10-6-15(24-3)17(26-5)16(7-10)25-4)18(22)11-8-12(19)13(20)9-14(11)23-2/h6-9H,20H2,1-5H3.
What are the key properties of 4-amino-5-chloro-2-methoxy-N-methyl-N-(3,4,5-trimethoxyphenyl)benzamide?
4-amino-5-chloro-2-methoxy-N-methyl-N-(3,4,5-trimethoxyphenyl)benzamide has a molecular weight of 380.83 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-2-methoxy-N-methyl-N-(3,4,5-trimethoxyphenyl)benzamide is sourced from PubChem (CID 119802021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).