4-amino-5-(2-chloroethyl)-2-methoxybenzamide

C10H13ClN2O2 — CID 91050451

IUPAC4-amino-5-(2-chloroethyl)-2-methoxybenzamide
SMILESCOc1cc(N)c(CCCl)cc1C(N)=O
InChIInChI=1S/C10H13ClN2O2/c1-15-9-5-8(12)6(2-3-11)4-7(9)10(13)14/h4-5H,2-3,12H2,1H3,(H2,13,14)
InChIKeyPZONIKGGZBWQPJ-UHFFFAOYSA-N
MW228.68 g/mol
LogP1.16
Rot. Bonds4

About 4-amino-5-(2-chloroethyl)-2-methoxybenzamide

4-amino-5-(2-chloroethyl)-2-methoxybenzamide (PubChem CID 91050451) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 4-amino-5-(2-chloroethyl)-2-methoxybenzamide.

Molecular Properties

Compound Name4-amino-5-(2-chloroethyl)-2-methoxybenzamide
PubChem CID91050451
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Name4-amino-5-(2-chloroethyl)-2-methoxybenzamide
SMILESCOc1cc(N)c(CCCl)cc1C(N)=O
InChIInChI=1S/C10H13ClN2O2/c1-15-9-5-8(12)6(2-3-11)4-7(9)10(13)14/h4-5H,2-3,12H2,1H3,(H2,13,14)
InChIKeyPZONIKGGZBWQPJ-UHFFFAOYSA-N
XLogP1.16
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-5-fluoro-2-methoxybenzamide
CID 124706175
2,5-dimethoxy-4-methylbenzamide
CID 82491295
5-amino-4-fluoro-2-methoxybenzamide;hydrochloride
CID 86711464
2-amino-4-formyl-5-methoxybenzamide
CID 58768479
4-chloro-2-methoxybenzamide
CID 19741766
1-(2-chloroethyl)-2,4,5-trimethoxybenzene
CID 64867522
2-(4,5-diamino-2-methoxyphenyl)acetic acid
CID 171010739
4-amino-5-[[1-[3-(2-chlorophenyl)-3-hydroxypropyl]piperidin-4-yl]methyl]-2-methoxybenzamide
CID 175287799
2-amino-5-(2-chloroacetyl)-4-methoxybenzonitrile
CID 171013240
4,8-dimethoxynaphthalene-1,5-dicarboxamide
CID 100971321
2-amino-4,5-dimethoxybenzenecarbothioamide
CID 82673739
5-chloro-2-methoxy-4-(trifluoromethyl)benzamide
CID 171007477

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(2-chloroethyl)-2-methoxybenzamide?
The IUPAC name of 4-amino-5-(2-chloroethyl)-2-methoxybenzamide (CID 91050451) is 4-amino-5-(2-chloroethyl)-2-methoxybenzamide.
What is the SMILES notation for 4-amino-5-(2-chloroethyl)-2-methoxybenzamide?
The canonical SMILES for 4-amino-5-(2-chloroethyl)-2-methoxybenzamide is COc1cc(N)c(CCCl)cc1C(N)=O.
What is the InChIKey of 4-amino-5-(2-chloroethyl)-2-methoxybenzamide?
The InChIKey is PZONIKGGZBWQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c1-15-9-5-8(12)6(2-3-11)4-7(9)10(13)14/h4-5H,2-3,12H2,1H3,(H2,13,14).
What are the key properties of 4-amino-5-(2-chloroethyl)-2-methoxybenzamide?
4-amino-5-(2-chloroethyl)-2-methoxybenzamide has a molecular weight of 228.68 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(2-chloroethyl)-2-methoxybenzamide is sourced from PubChem (CID 91050451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).