4-amino-5-chloro-2-methoxy-N,N-bis(2-methoxyethyl)benzamide

C14H21ClN2O4 — CID 119672646

IUPAC4-amino-5-chloro-2-methoxy-N,N-bis(2-methoxyethyl)benzamide
SMILESCOCCN(CCOC)C(=O)c1cc(Cl)c(N)cc1OC
InChIInChI=1S/C14H21ClN2O4/c1-19-6-4-17(5-7-20-2)14(18)10-8-11(15)12(16)9-13(10)21-3/h8-9H,4-7,16H2,1-3H3
InChIKeySLIUCQRDRVIBLS-UHFFFAOYSA-N
MW316.79 g/mol
LogP1.67
Rot. Bonds8

About 4-amino-5-chloro-2-methoxy-N,N-bis(2-methoxyethyl)benzamide

4-amino-5-chloro-2-methoxy-N,N-bis(2-methoxyethyl)benzamide (PubChem CID 119672646) has the molecular formula C14H21ClN2O4 and a molecular weight of 316.79 g/mol. Its IUPAC name is 4-amino-5-chloro-2-methoxy-N,N-bis(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name4-amino-5-chloro-2-methoxy-N,N-bis(2-methoxyethyl)benzamide
PubChem CID119672646
Molecular FormulaC14H21ClN2O4
Molecular Weight316.79 g/mol
Exact Mass316.12
IUPAC Name4-amino-5-chloro-2-methoxy-N,N-bis(2-methoxyethyl)benzamide
SMILESCOCCN(CCOC)C(=O)c1cc(Cl)c(N)cc1OC
InChIInChI=1S/C14H21ClN2O4/c1-19-6-4-17(5-7-20-2)14(18)10-8-11(15)12(16)9-13(10)21-3/h8-9H,4-7,16H2,1-3H3
InChIKeySLIUCQRDRVIBLS-UHFFFAOYSA-N
XLogP1.67
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-5-chloro-2-methoxy-N-[2-[3-methoxypropyl(methyl)amino]ethyl]benzamide
CID 119892903
2-(dimethylamino)ethyl 4-amino-5-chloro-2-methoxybenzoate
CID 10802184
4-amino-5-chloro-N-(2-hydroxy-2-methylpropyl)-2-methoxy-N-methylbenzamide
CID 90103674
4-amino-5-chloro-2-methoxy-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide;hydrochloride
CID 119689180
sodium 4-amino-5-chloro-2-methoxybenzoate
CID 24820370
4-amino-5-chloro-2-methoxy-N-methyl-N-(3,4,5-trimethoxyphenyl)benzamide
CID 119802021
4-amino-5-chloro-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-2-methoxybenzamide;hydrochloride
CID 119774991
4-amino-5-chloro-2-methoxy-N-propan-2-ylbenzamide
CID 70318142
4-amino-5-chloro-2-methoxy-N-[3-(methylamino)propyl]benzamide
CID 122080226
4-amino-5-chloro-2-methoxy-N-(2-methoxy-2-methylpropyl)benzamide
CID 119790756
2-methoxy-N,N-bis(2-methoxyethyl)benzamide
CID 51072625
5-amino-2,4-difluoro-N,N-bis(2-methoxyethyl)benzamide
CID 61095461

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-2-methoxy-N,N-bis(2-methoxyethyl)benzamide?
The IUPAC name of 4-amino-5-chloro-2-methoxy-N,N-bis(2-methoxyethyl)benzamide (CID 119672646) is 4-amino-5-chloro-2-methoxy-N,N-bis(2-methoxyethyl)benzamide.
What is the SMILES notation for 4-amino-5-chloro-2-methoxy-N,N-bis(2-methoxyethyl)benzamide?
The canonical SMILES for 4-amino-5-chloro-2-methoxy-N,N-bis(2-methoxyethyl)benzamide is COCCN(CCOC)C(=O)c1cc(Cl)c(N)cc1OC.
What is the InChIKey of 4-amino-5-chloro-2-methoxy-N,N-bis(2-methoxyethyl)benzamide?
The InChIKey is SLIUCQRDRVIBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O4/c1-19-6-4-17(5-7-20-2)14(18)10-8-11(15)12(16)9-13(10)21-3/h8-9H,4-7,16H2,1-3H3.
What are the key properties of 4-amino-5-chloro-2-methoxy-N,N-bis(2-methoxyethyl)benzamide?
4-amino-5-chloro-2-methoxy-N,N-bis(2-methoxyethyl)benzamide has a molecular weight of 316.79 g/mol, XLogP of 1.67, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-2-methoxy-N,N-bis(2-methoxyethyl)benzamide is sourced from PubChem (CID 119672646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).