4-chloro-N-[1-[2-(ethylaminomethyl)anilino]-1-oxopropan-2-yl]benzamide

C19H22ClN3O2 — CID 119440668

IUPAC4-chloro-N-[1-[2-(ethylaminomethyl)anilino]-1-oxopropan-2-yl]benzamide
SMILESCCNCc1ccccc1NC(=O)C(C)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H22ClN3O2/c1-3-21-12-15-6-4-5-7-17(15)23-18(24)13(2)22-19(25)14-8-10-16(20)11-9-14/h4-11,13,21H,3,12H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyAJHLJGUXYIMFRI-UHFFFAOYSA-N
MW359.86 g/mol
LogP3.21
Rot. Bonds7

About 4-chloro-N-[1-[2-(ethylaminomethyl)anilino]-1-oxopropan-2-yl]benzamide

4-chloro-N-[1-[2-(ethylaminomethyl)anilino]-1-oxopropan-2-yl]benzamide (PubChem CID 119440668) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is 4-chloro-N-[1-[2-(ethylaminomethyl)anilino]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[1-[2-(ethylaminomethyl)anilino]-1-oxopropan-2-yl]benzamide
PubChem CID119440668
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name4-chloro-N-[1-[2-(ethylaminomethyl)anilino]-1-oxopropan-2-yl]benzamide
SMILESCCNCc1ccccc1NC(=O)C(C)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H22ClN3O2/c1-3-21-12-15-6-4-5-7-17(15)23-18(24)13(2)22-19(25)14-8-10-16(20)11-9-14/h4-11,13,21H,3,12H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyAJHLJGUXYIMFRI-UHFFFAOYSA-N
XLogP3.21
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[(2R)-1-(2-ethylanilino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 8839518
3,5-dichloro-N-[2-(ethylaminomethyl)phenyl]benzamide
CID 43601335
N-[1-(2-chloroanilino)-1-oxopropan-2-yl]benzamide
CID 46756229
4-chloro-N-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]benzamide
CID 46744939
N-[1-[2-(ethylaminomethyl)anilino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 119440855
4-acetyl-N-[2-(ethylaminomethyl)phenyl]benzamide;hydrochloride
CID 86779920
4-chloro-N-[1-[2-(2-methylpropanoylamino)ethylamino]-1-oxopropan-2-yl]benzamide
CID 112767742
2-(3-chlorophenyl)-N-[2-(ethylaminomethyl)phenyl]propanamide
CID 119440626
4-chloro-N-[(2S)-1-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide
CID 41083228
N-[2-(ethylaminomethyl)phenyl]-4-methylsulfanylbenzamide
CID 79213773
N-[2-(ethylaminomethyl)phenyl]-3,5-dimethylbenzamide
CID 43601336
4-[2-[(4-chlorobenzoyl)amino]propanoylamino]-N-methylbenzamide
CID 51147091

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-[2-(ethylaminomethyl)anilino]-1-oxopropan-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[1-[2-(ethylaminomethyl)anilino]-1-oxopropan-2-yl]benzamide (CID 119440668) is 4-chloro-N-[1-[2-(ethylaminomethyl)anilino]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[1-[2-(ethylaminomethyl)anilino]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[1-[2-(ethylaminomethyl)anilino]-1-oxopropan-2-yl]benzamide is CCNCc1ccccc1NC(=O)C(C)NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[1-[2-(ethylaminomethyl)anilino]-1-oxopropan-2-yl]benzamide?
The InChIKey is AJHLJGUXYIMFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-3-21-12-15-6-4-5-7-17(15)23-18(24)13(2)22-19(25)14-8-10-16(20)11-9-14/h4-11,13,21H,3,12H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of 4-chloro-N-[1-[2-(ethylaminomethyl)anilino]-1-oxopropan-2-yl]benzamide?
4-chloro-N-[1-[2-(ethylaminomethyl)anilino]-1-oxopropan-2-yl]benzamide has a molecular weight of 359.86 g/mol, XLogP of 3.21, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-[2-(ethylaminomethyl)anilino]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 119440668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).