2-chloro-N-[3-[[2-(dimethylamino)-2-oxoethyl]amino]-3-oxopropyl]benzamide

C14H18ClN3O3 — CID 9480573

IUPAC2-chloro-N-[3-[[2-(dimethylamino)-2-oxoethyl]amino]-3-oxopropyl]benzamide
SMILESCN(C)C(=O)CNC(=O)CCNC(=O)c1ccccc1Cl
InChIInChI=1S/C14H18ClN3O3/c1-18(2)13(20)9-17-12(19)7-8-16-14(21)10-5-3-4-6-11(10)15/h3-6H,7-9H2,1-2H3,(H,16,21)(H,17,19)
InChIKeyXTUHLWCMJLPVHA-UHFFFAOYSA-N
MW311.77 g/mol
LogP0.66
Rot. Bonds6

About 2-chloro-N-[3-[[2-(dimethylamino)-2-oxoethyl]amino]-3-oxopropyl]benzamide

2-chloro-N-[3-[[2-(dimethylamino)-2-oxoethyl]amino]-3-oxopropyl]benzamide (PubChem CID 9480573) has the molecular formula C14H18ClN3O3 and a molecular weight of 311.77 g/mol. Its IUPAC name is 2-chloro-N-[3-[[2-(dimethylamino)-2-oxoethyl]amino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[[2-(dimethylamino)-2-oxoethyl]amino]-3-oxopropyl]benzamide
PubChem CID9480573
Molecular FormulaC14H18ClN3O3
Molecular Weight311.77 g/mol
Exact Mass311.10
IUPAC Name2-chloro-N-[3-[[2-(dimethylamino)-2-oxoethyl]amino]-3-oxopropyl]benzamide
SMILESCN(C)C(=O)CNC(=O)CCNC(=O)c1ccccc1Cl
InChIInChI=1S/C14H18ClN3O3/c1-18(2)13(20)9-17-12(19)7-8-16-14(21)10-5-3-4-6-11(10)15/h3-6H,7-9H2,1-2H3,(H,16,21)(H,17,19)
InChIKeyXTUHLWCMJLPVHA-UHFFFAOYSA-N
XLogP0.66
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-[3-[(2-chlorobenzoyl)amino]propanoylamino]propanoate
CID 91637595
2-chloro-N-[3-[(2-methylphenyl)methylamino]-3-oxopropyl]benzamide
CID 9104877
2-chloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]benzamide
CID 134063159
3-[[2-[(2-chlorobenzoyl)amino]acetyl]-methylamino]propanoic acid
CID 60988640
2-chloro-N-[3-oxo-3-(pentan-3-ylamino)propyl]benzamide
CID 7962772
N-[3-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-3-oxopropyl]-2-chlorobenzamide
CID 18137353
2-chloro-N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]benzamide
CID 7700839
2-chloro-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]benzamide
CID 7915102
2-chloro-N-[2-[(2-chloroacetyl)amino]ethyl]benzamide
CID 108571462
2-chloro-N-[3-oxo-3-(piperidin-1-ylamino)propyl]benzamide
CID 9271208
ethyl 2-[3-[(2-chlorobenzoyl)amino]propanoylamino]benzoate
CID 7958134
2-chloro-N-[3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropyl]benzamide
CID 8935033

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[[2-(dimethylamino)-2-oxoethyl]amino]-3-oxopropyl]benzamide?
The IUPAC name of 2-chloro-N-[3-[[2-(dimethylamino)-2-oxoethyl]amino]-3-oxopropyl]benzamide (CID 9480573) is 2-chloro-N-[3-[[2-(dimethylamino)-2-oxoethyl]amino]-3-oxopropyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-[[2-(dimethylamino)-2-oxoethyl]amino]-3-oxopropyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-[[2-(dimethylamino)-2-oxoethyl]amino]-3-oxopropyl]benzamide is CN(C)C(=O)CNC(=O)CCNC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[3-[[2-(dimethylamino)-2-oxoethyl]amino]-3-oxopropyl]benzamide?
The InChIKey is XTUHLWCMJLPVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O3/c1-18(2)13(20)9-17-12(19)7-8-16-14(21)10-5-3-4-6-11(10)15/h3-6H,7-9H2,1-2H3,(H,16,21)(H,17,19).
What are the key properties of 2-chloro-N-[3-[[2-(dimethylamino)-2-oxoethyl]amino]-3-oxopropyl]benzamide?
2-chloro-N-[3-[[2-(dimethylamino)-2-oxoethyl]amino]-3-oxopropyl]benzamide has a molecular weight of 311.77 g/mol, XLogP of 0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[[2-(dimethylamino)-2-oxoethyl]amino]-3-oxopropyl]benzamide is sourced from PubChem (CID 9480573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).