4-chloro-2-[[2-[[(2R)-2-cyanopropyl]-ethylamino]-2-oxoethyl]amino]benzamide

C15H19ClN4O2 — CID 97054732

IUPAC4-chloro-2-[[2-[[(2R)-2-cyanopropyl]-ethylamino]-2-oxoethyl]amino]benzamide
SMILESCCN(C[C@@H](C)C#N)C(=O)CNc1cc(Cl)ccc1C(N)=O
InChIInChI=1S/C15H19ClN4O2/c1-3-20(9-10(2)7-17)14(21)8-19-13-6-11(16)4-5-12(13)15(18)22/h4-6,10,19H,3,8-9H2,1-2H3,(H2,18,22)/t10-/m0/s1
InChIKeyWDYJPNZERMIONG-JTQLQIEISA-N
MW322.80 g/mol
LogP1.86
Rot. Bonds7

About 4-chloro-2-[[2-[[(2R)-2-cyanopropyl]-ethylamino]-2-oxoethyl]amino]benzamide

4-chloro-2-[[2-[[(2R)-2-cyanopropyl]-ethylamino]-2-oxoethyl]amino]benzamide (PubChem CID 97054732) has the molecular formula C15H19ClN4O2 and a molecular weight of 322.80 g/mol. Its IUPAC name is 4-chloro-2-[[2-[[(2R)-2-cyanopropyl]-ethylamino]-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound Name4-chloro-2-[[2-[[(2R)-2-cyanopropyl]-ethylamino]-2-oxoethyl]amino]benzamide
PubChem CID97054732
Molecular FormulaC15H19ClN4O2
Molecular Weight322.80 g/mol
Exact Mass322.12
IUPAC Name4-chloro-2-[[2-[[(2R)-2-cyanopropyl]-ethylamino]-2-oxoethyl]amino]benzamide
SMILESCCN(C[C@@H](C)C#N)C(=O)CNc1cc(Cl)ccc1C(N)=O
InChIInChI=1S/C15H19ClN4O2/c1-3-20(9-10(2)7-17)14(21)8-19-13-6-11(16)4-5-12(13)15(18)22/h4-6,10,19H,3,8-9H2,1-2H3,(H2,18,22)/t10-/m0/s1
InChIKeyWDYJPNZERMIONG-JTQLQIEISA-N
XLogP1.86
TPSA99.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-acetylanilino)-N-[(2R)-2-cyanopropyl]-N-ethylacetamide
CID 97054710
4-chloro-N-(2-cyanopropyl)-N-ethyl-2-hydroxybenzamide
CID 54988577
4-amino-2-chloro-N-(2-cyanopropyl)-N-ethylbenzamide
CID 61110331
N-(2-cyanopropyl)-N-ethyl-2-(methylamino)acetamide
CID 60962782
2-(5-chloro-2-fluoroanilino)-N-methyl-N-propan-2-ylacetamide
CID 43385741
5-chloro-N-(2-cyanopropyl)-N-ethyl-2-methoxybenzamide
CID 54988535
2-(4-chlorophenyl)sulfonyl-N-(2-cyanopropyl)-N-ethylacetamide
CID 60516291
3-chloro-N-(2-cyanopropyl)-N-ethylbenzamide
CID 54979092
5-chloro-2-[[2-(N-ethylanilino)-2-oxoethyl]amino]benzamide
CID 47077810
4-(2-carbamoyl-5-chloroanilino)-2-methylbutanoic acid
CID 80539385
3-chloro-N-(2-cyanopropyl)-N-ethylpyridine-4-carboxamide
CID 66463593
2-[4-(4-chlorobenzoyl)phenoxy]-N-(2-cyanopropyl)-N-ethylacetamide
CID 60516089

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[2-[[(2R)-2-cyanopropyl]-ethylamino]-2-oxoethyl]amino]benzamide?
The IUPAC name of 4-chloro-2-[[2-[[(2R)-2-cyanopropyl]-ethylamino]-2-oxoethyl]amino]benzamide (CID 97054732) is 4-chloro-2-[[2-[[(2R)-2-cyanopropyl]-ethylamino]-2-oxoethyl]amino]benzamide.
What is the SMILES notation for 4-chloro-2-[[2-[[(2R)-2-cyanopropyl]-ethylamino]-2-oxoethyl]amino]benzamide?
The canonical SMILES for 4-chloro-2-[[2-[[(2R)-2-cyanopropyl]-ethylamino]-2-oxoethyl]amino]benzamide is CCN(C[C@@H](C)C#N)C(=O)CNc1cc(Cl)ccc1C(N)=O.
What is the InChIKey of 4-chloro-2-[[2-[[(2R)-2-cyanopropyl]-ethylamino]-2-oxoethyl]amino]benzamide?
The InChIKey is WDYJPNZERMIONG-JTQLQIEISA-N. The full InChI is InChI=1S/C15H19ClN4O2/c1-3-20(9-10(2)7-17)14(21)8-19-13-6-11(16)4-5-12(13)15(18)22/h4-6,10,19H,3,8-9H2,1-2H3,(H2,18,22)/t10-/m0/s1.
What are the key properties of 4-chloro-2-[[2-[[(2R)-2-cyanopropyl]-ethylamino]-2-oxoethyl]amino]benzamide?
4-chloro-2-[[2-[[(2R)-2-cyanopropyl]-ethylamino]-2-oxoethyl]amino]benzamide has a molecular weight of 322.80 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[2-[[(2R)-2-cyanopropyl]-ethylamino]-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 97054732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).