4-chloro-N,N-dimethyl-2-[[2-(propan-2-ylamino)acetyl]amino]benzamide

C14H20ClN3O2 — CID 60843063

IUPAC4-chloro-N,N-dimethyl-2-[[2-(propan-2-ylamino)acetyl]amino]benzamide
SMILESCC(C)NCC(=O)Nc1cc(Cl)ccc1C(=O)N(C)C
InChIInChI=1S/C14H20ClN3O2/c1-9(2)16-8-13(19)17-12-7-10(15)5-6-11(12)14(20)18(3)4/h5-7,9,16H,8H2,1-4H3,(H,17,19)
InChIKeyZRKSZIMVSLDIMM-UHFFFAOYSA-N
MW297.79 g/mol
LogP1.98
Rot. Bonds5

About 4-chloro-N,N-dimethyl-2-[[2-(propan-2-ylamino)acetyl]amino]benzamide

4-chloro-N,N-dimethyl-2-[[2-(propan-2-ylamino)acetyl]amino]benzamide (PubChem CID 60843063) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 4-chloro-N,N-dimethyl-2-[[2-(propan-2-ylamino)acetyl]amino]benzamide.

Molecular Properties

Compound Name4-chloro-N,N-dimethyl-2-[[2-(propan-2-ylamino)acetyl]amino]benzamide
PubChem CID60843063
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name4-chloro-N,N-dimethyl-2-[[2-(propan-2-ylamino)acetyl]amino]benzamide
SMILESCC(C)NCC(=O)Nc1cc(Cl)ccc1C(=O)N(C)C
InChIInChI=1S/C14H20ClN3O2/c1-9(2)16-8-13(19)17-12-7-10(15)5-6-11(12)14(20)18(3)4/h5-7,9,16H,8H2,1-4H3,(H,17,19)
InChIKeyZRKSZIMVSLDIMM-UHFFFAOYSA-N
XLogP1.98
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-[(2-chloroacetyl)amino]-N,N-dimethylbenzamide
CID 43695965
2-(2-bromopropanoylamino)-4-chloro-N,N-dimethylbenzamide
CID 114014319
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(propan-2-ylamino)acetamide
CID 2427329
2-[(5-amino-2-methylpentanoyl)amino]-4-chloro-N,N-dimethylbenzamide
CID 104683758
methyl 2-[5-chloro-2-(dimethylcarbamoyl)anilino]propanoate
CID 66172721
4-chloro-N-methyl-2-(propanoylamino)-N-propylbenzamide
CID 50956773
4-chloro-2-(2,2-dimethoxyethylamino)-N,N-dimethylbenzamide
CID 55234275
2-[(2-amino-2-methylpentanoyl)amino]-4-chloro-N,N-dimethylbenzamide
CID 60847700
4-chloro-N,N-dimethyl-2-(octan-2-ylamino)benzamide
CID 43737653
4-chloro-2-[(3-methoxy-2-methylpropyl)amino]-N,N-dimethylbenzamide
CID 116501092
N-(5-chloro-2-pyrazol-1-ylphenyl)-2-(propan-2-ylamino)acetamide
CID 60927204
4-chloro-2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]-N,N-dimethylbenzamide
CID 71897532

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-dimethyl-2-[[2-(propan-2-ylamino)acetyl]amino]benzamide?
The IUPAC name of 4-chloro-N,N-dimethyl-2-[[2-(propan-2-ylamino)acetyl]amino]benzamide (CID 60843063) is 4-chloro-N,N-dimethyl-2-[[2-(propan-2-ylamino)acetyl]amino]benzamide.
What is the SMILES notation for 4-chloro-N,N-dimethyl-2-[[2-(propan-2-ylamino)acetyl]amino]benzamide?
The canonical SMILES for 4-chloro-N,N-dimethyl-2-[[2-(propan-2-ylamino)acetyl]amino]benzamide is CC(C)NCC(=O)Nc1cc(Cl)ccc1C(=O)N(C)C.
What is the InChIKey of 4-chloro-N,N-dimethyl-2-[[2-(propan-2-ylamino)acetyl]amino]benzamide?
The InChIKey is ZRKSZIMVSLDIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-9(2)16-8-13(19)17-12-7-10(15)5-6-11(12)14(20)18(3)4/h5-7,9,16H,8H2,1-4H3,(H,17,19).
What are the key properties of 4-chloro-N,N-dimethyl-2-[[2-(propan-2-ylamino)acetyl]amino]benzamide?
4-chloro-N,N-dimethyl-2-[[2-(propan-2-ylamino)acetyl]amino]benzamide has a molecular weight of 297.79 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-dimethyl-2-[[2-(propan-2-ylamino)acetyl]amino]benzamide is sourced from PubChem (CID 60843063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).