5-amino-2-chloro-N-ethyl-4-(ethylamino)benzamide

C11H16ClN3O — CID 112756977

IUPAC5-amino-2-chloro-N-ethyl-4-(ethylamino)benzamide
SMILESCCNC(=O)c1cc(N)c(NCC)cc1Cl
InChIInChI=1S/C11H16ClN3O/c1-3-14-10-6-8(12)7(5-9(10)13)11(16)15-4-2/h5-6,14H,3-4,13H2,1-2H3,(H,15,16)
InChIKeyBQOBUCOEUPDNBF-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.10
Rot. Bonds4

About 5-amino-2-chloro-N-ethyl-4-(ethylamino)benzamide

5-amino-2-chloro-N-ethyl-4-(ethylamino)benzamide (PubChem CID 112756977) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 5-amino-2-chloro-N-ethyl-4-(ethylamino)benzamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-ethyl-4-(ethylamino)benzamide
PubChem CID112756977
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name5-amino-2-chloro-N-ethyl-4-(ethylamino)benzamide
SMILESCCNC(=O)c1cc(N)c(NCC)cc1Cl
InChIInChI=1S/C11H16ClN3O/c1-3-14-10-6-8(12)7(5-9(10)13)11(16)15-4-2/h5-6,14H,3-4,13H2,1-2H3,(H,15,16)
InChIKeyBQOBUCOEUPDNBF-UHFFFAOYSA-N
XLogP2.10
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.10
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

5-amino-2-chloro-N-(2,2-difluoropropyl)-4-(methylamino)benzamide
CID 67978209
4-amino-2-chloro-N-ethylbenzamide;hydrochloride
CID 47000809
2,4-dichloro-N-ethyl-5-fluorobenzamide
CID 60664980
2-chloro-N-ethyl-4,5-dinitrobenzamide
CID 88924576
2-amino-3-chloro-5-cyano-N-ethylbenzamide
CID 130154016
5-amino-2-bromo-N-ethyl-4-fluorobenzamide
CID 62831065
2-[(5-amino-2-chloro-4-fluorobenzoyl)amino]acetic acid
CID 86713109
4-amino-2-chloro-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide
CID 61115647
5-[(1-amino-2-chloroethylidene)amino]-2-chloro-N-ethylbenzamide
CID 169365669
2-(2-amino-4-chloroanilino)-N-ethylacetamide
CID 43566811
methyl (3S)-3-[2-amino-5-chloro-4-(methylcarbamoyl)anilino]butanoate
CID 156771550
5-amino-2-[cyclopropyl(methyl)amino]-N-ethyl-4-(methylamino)benzamide
CID 67978063

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-ethyl-4-(ethylamino)benzamide?
The IUPAC name of 5-amino-2-chloro-N-ethyl-4-(ethylamino)benzamide (CID 112756977) is 5-amino-2-chloro-N-ethyl-4-(ethylamino)benzamide.
What is the SMILES notation for 5-amino-2-chloro-N-ethyl-4-(ethylamino)benzamide?
The canonical SMILES for 5-amino-2-chloro-N-ethyl-4-(ethylamino)benzamide is CCNC(=O)c1cc(N)c(NCC)cc1Cl.
What is the InChIKey of 5-amino-2-chloro-N-ethyl-4-(ethylamino)benzamide?
The InChIKey is BQOBUCOEUPDNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-3-14-10-6-8(12)7(5-9(10)13)11(16)15-4-2/h5-6,14H,3-4,13H2,1-2H3,(H,15,16).
What are the key properties of 5-amino-2-chloro-N-ethyl-4-(ethylamino)benzamide?
5-amino-2-chloro-N-ethyl-4-(ethylamino)benzamide has a molecular weight of 241.72 g/mol, XLogP of 2.10, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-ethyl-4-(ethylamino)benzamide is sourced from PubChem (CID 112756977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).