N-(4-chlorophenyl)-2-[[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide

C19H21ClN4O3 — CID 78825949

IUPACN-(4-chlorophenyl)-2-[[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide
SMILESCNC(=O)CN(C)CC(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN4O3/c1-21-17(25)11-24(2)12-18(26)23-16-6-4-3-5-15(16)19(27)22-14-9-7-13(20)8-10-14/h3-10H,11-12H2,1-2H3,(H,21,25)(H,22,27)(H,23,26)
InChIKeyDTHYMQNYEUEDBZ-UHFFFAOYSA-N
MW388.86 g/mol
LogP2.21
Rot. Bonds7

About N-(4-chlorophenyl)-2-[[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide

N-(4-chlorophenyl)-2-[[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide (PubChem CID 78825949) has the molecular formula C19H21ClN4O3 and a molecular weight of 388.86 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide
PubChem CID78825949
Molecular FormulaC19H21ClN4O3
Molecular Weight388.86 g/mol
Exact Mass388.13
IUPAC NameN-(4-chlorophenyl)-2-[[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide
SMILESCNC(=O)CN(C)CC(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN4O3/c1-21-17(25)11-24(2)12-18(26)23-16-6-4-3-5-15(16)19(27)22-14-9-7-13(20)8-10-14/h3-10H,11-12H2,1-2H3,(H,21,25)(H,22,27)(H,23,26)
InChIKeyDTHYMQNYEUEDBZ-UHFFFAOYSA-N
XLogP2.21
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.86
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide
CID 16555132
2-[[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide
CID 27253562
2-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide
CID 2658446
N-(4-chlorophenyl)-2-[[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]amino]benzamide
CID 55466552
2-[[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetyl]amino]-N-phenylbenzamide
CID 2469957
N-(4-chlorophenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetamide
CID 4806218
2-[[2-(2-aminoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 43374525
2-[[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 8712443
2-[[2-[(2-fluorophenyl)methyl-methylamino]acetyl]amino]-N-phenylbenzamide
CID 2474016
[2-[2-[(4-chlorophenyl)carbamoyl]anilino]-2-oxoethyl] propanoate
CID 9015149
2-[[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide
CID 2521413
2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 78788147

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide?
The IUPAC name of N-(4-chlorophenyl)-2-[[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide (CID 78825949) is N-(4-chlorophenyl)-2-[[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide is CNC(=O)CN(C)CC(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide?
The InChIKey is DTHYMQNYEUEDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O3/c1-21-17(25)11-24(2)12-18(26)23-16-6-4-3-5-15(16)19(27)22-14-9-7-13(20)8-10-14/h3-10H,11-12H2,1-2H3,(H,21,25)(H,22,27)(H,23,26).
What are the key properties of N-(4-chlorophenyl)-2-[[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide?
N-(4-chlorophenyl)-2-[[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide has a molecular weight of 388.86 g/mol, XLogP of 2.21, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide is sourced from PubChem (CID 78825949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).