4-amino-3-(3-chloro-2-methylanilino)-N-ethylbenzamide

C16H18ClN3O — CID 63360778

IUPAC4-amino-3-(3-chloro-2-methylanilino)-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(N)c(Nc2cccc(Cl)c2C)c1
InChIInChI=1S/C16H18ClN3O/c1-3-19-16(21)11-7-8-13(18)15(9-11)20-14-6-4-5-12(17)10(14)2/h4-9,20H,3,18H2,1-2H3,(H,19,21)
InChIKeyPOCYNYDQZKKSGY-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.72
Rot. Bonds4

About 4-amino-3-(3-chloro-2-methylanilino)-N-ethylbenzamide

4-amino-3-(3-chloro-2-methylanilino)-N-ethylbenzamide (PubChem CID 63360778) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 4-amino-3-(3-chloro-2-methylanilino)-N-ethylbenzamide.

Molecular Properties

Compound Name4-amino-3-(3-chloro-2-methylanilino)-N-ethylbenzamide
PubChem CID63360778
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name4-amino-3-(3-chloro-2-methylanilino)-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(N)c(Nc2cccc(Cl)c2C)c1
InChIInChI=1S/C16H18ClN3O/c1-3-19-16(21)11-7-8-13(18)15(9-11)20-14-6-4-5-12(17)10(14)2/h4-9,20H,3,18H2,1-2H3,(H,19,21)
InChIKeyPOCYNYDQZKKSGY-UHFFFAOYSA-N
XLogP3.72
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-amino-3-(3-chloro-2-methylanilino)benzoate
CID 82791199
4-amino-3-anilino-N-ethylbenzamide
CID 55188757
4-amino-3-(2-chloro-5-fluoroanilino)-N-ethylbenzamide
CID 107526839
4-amino-N-ethyl-3-(2-methylsulfanylanilino)benzamide
CID 107643460
3-amino-4-(3-bromo-2-methylanilino)-N-ethylbenzamide
CID 107633752
4-amino-N-ethyl-3-(3-methylsulfanylanilino)benzamide
CID 63360686
4-amino-3-(3,5-difluoroanilino)-N-ethylbenzamide
CID 63361087
4-amino-3-(5-bromo-2-fluoroanilino)-N-ethylbenzamide
CID 63360656
4-amino-3-(2-bromo-5-fluoroanilino)-N-ethylbenzamide
CID 107634456
3-amino-4-anilino-N-ethylbenzamide
CID 82999542
4-chloro-N-ethyl-3-methylbenzamide
CID 18712033
4-amino-3-[2-(carbamoylamino)ethylamino]-N-ethylbenzamide
CID 83116178

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(3-chloro-2-methylanilino)-N-ethylbenzamide?
The IUPAC name of 4-amino-3-(3-chloro-2-methylanilino)-N-ethylbenzamide (CID 63360778) is 4-amino-3-(3-chloro-2-methylanilino)-N-ethylbenzamide.
What is the SMILES notation for 4-amino-3-(3-chloro-2-methylanilino)-N-ethylbenzamide?
The canonical SMILES for 4-amino-3-(3-chloro-2-methylanilino)-N-ethylbenzamide is CCNC(=O)c1ccc(N)c(Nc2cccc(Cl)c2C)c1.
What is the InChIKey of 4-amino-3-(3-chloro-2-methylanilino)-N-ethylbenzamide?
The InChIKey is POCYNYDQZKKSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-3-19-16(21)11-7-8-13(18)15(9-11)20-14-6-4-5-12(17)10(14)2/h4-9,20H,3,18H2,1-2H3,(H,19,21).
What are the key properties of 4-amino-3-(3-chloro-2-methylanilino)-N-ethylbenzamide?
4-amino-3-(3-chloro-2-methylanilino)-N-ethylbenzamide has a molecular weight of 303.79 g/mol, XLogP of 3.72, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(3-chloro-2-methylanilino)-N-ethylbenzamide is sourced from PubChem (CID 63360778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).