2-amino-4-chloro-N-(2-hydroxyethyl)-N-methylbenzamide

C10H13ClN2O2 — CID 43345854

IUPAC2-amino-4-chloro-N-(2-hydroxyethyl)-N-methylbenzamide
SMILESCN(CCO)C(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C10H13ClN2O2/c1-13(4-5-14)10(15)8-3-2-7(11)6-9(8)12/h2-3,6,14H,4-5,12H2,1H3
InChIKeyYQXQCQRGOJCTCN-UHFFFAOYSA-N
MW228.68 g/mol
LogP0.99
Rot. Bonds3

About 2-amino-4-chloro-N-(2-hydroxyethyl)-N-methylbenzamide

2-amino-4-chloro-N-(2-hydroxyethyl)-N-methylbenzamide (PubChem CID 43345854) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 2-amino-4-chloro-N-(2-hydroxyethyl)-N-methylbenzamide.

Molecular Properties

Compound Name2-amino-4-chloro-N-(2-hydroxyethyl)-N-methylbenzamide
PubChem CID43345854
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Name2-amino-4-chloro-N-(2-hydroxyethyl)-N-methylbenzamide
SMILESCN(CCO)C(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C10H13ClN2O2/c1-13(4-5-14)10(15)8-3-2-7(11)6-9(8)12/h2-3,6,14H,4-5,12H2,1H3
InChIKeyYQXQCQRGOJCTCN-UHFFFAOYSA-N
XLogP0.99
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-chloro-N-(2-hydroxypropyl)-N-methylbenzamide
CID 62334921
2-amino-4-chloro-N-methylbenzohydrazide
CID 145125072
2-amino-4-chloro-N-methyl-N-(2-methylbutyl)benzamide
CID 43295321
2-amino-4-chloro-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide
CID 61115646
2-amino-4-chloro-N,N-dipropylbenzamide
CID 16771430
2-amino-4-chloro-N,N-diethylbenzamide
CID 16773722
2-amino-N-[(4-bromophenyl)methyl]-4-chloro-N-methylbenzamide
CID 61118172
2-amino-4-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide
CID 64510774
N-(2-aminoethyl)-2,4-dichloro-N-methylbenzamide
CID 62686423
2-amino-4-chloro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 61112358
2-amino-4-chloro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
CID 106913799
N-(2-aminoethyl)-4-chloro-2-fluoro-N-methylbenzamide
CID 62686056

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-N-(2-hydroxyethyl)-N-methylbenzamide?
The IUPAC name of 2-amino-4-chloro-N-(2-hydroxyethyl)-N-methylbenzamide (CID 43345854) is 2-amino-4-chloro-N-(2-hydroxyethyl)-N-methylbenzamide.
What is the SMILES notation for 2-amino-4-chloro-N-(2-hydroxyethyl)-N-methylbenzamide?
The canonical SMILES for 2-amino-4-chloro-N-(2-hydroxyethyl)-N-methylbenzamide is CN(CCO)C(=O)c1ccc(Cl)cc1N.
What is the InChIKey of 2-amino-4-chloro-N-(2-hydroxyethyl)-N-methylbenzamide?
The InChIKey is YQXQCQRGOJCTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c1-13(4-5-14)10(15)8-3-2-7(11)6-9(8)12/h2-3,6,14H,4-5,12H2,1H3.
What are the key properties of 2-amino-4-chloro-N-(2-hydroxyethyl)-N-methylbenzamide?
2-amino-4-chloro-N-(2-hydroxyethyl)-N-methylbenzamide has a molecular weight of 228.68 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-N-(2-hydroxyethyl)-N-methylbenzamide is sourced from PubChem (CID 43345854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).