4-bromo-N-[2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-oxoethyl]benzamide

C15H20BrN3O3 — CID 9475595

IUPAC4-bromo-N-[2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-oxoethyl]benzamide
SMILESCC(C)NC(=O)CN(C)C(=O)CNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H20BrN3O3/c1-10(2)18-13(20)9-19(3)14(21)8-17-15(22)11-4-6-12(16)7-5-11/h4-7,10H,8-9H2,1-3H3,(H,17,22)(H,18,20)
InChIKeyYHVRYHQHOZBAIA-UHFFFAOYSA-N
MW370.25 g/mol
LogP1.16
Rot. Bonds6

About 4-bromo-N-[2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-oxoethyl]benzamide

4-bromo-N-[2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-oxoethyl]benzamide (PubChem CID 9475595) has the molecular formula C15H20BrN3O3 and a molecular weight of 370.25 g/mol. Its IUPAC name is 4-bromo-N-[2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-oxoethyl]benzamide
PubChem CID9475595
Molecular FormulaC15H20BrN3O3
Molecular Weight370.25 g/mol
Exact Mass369.07
IUPAC Name4-bromo-N-[2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-oxoethyl]benzamide
SMILESCC(C)NC(=O)CN(C)C(=O)CNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H20BrN3O3/c1-10(2)18-13(20)9-19(3)14(21)8-17-15(22)11-4-6-12(16)7-5-11/h4-7,10H,8-9H2,1-3H3,(H,17,22)(H,18,20)
InChIKeyYHVRYHQHOZBAIA-UHFFFAOYSA-N
XLogP1.16
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.25
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9476611
4-bromo-N-[2-[2,2-difluoroethyl(methyl)amino]-2-oxoethyl]benzamide
CID 99699977
2-[[2-(4-bromophenoxy)acetyl]-methylamino]-N-propan-2-ylacetamide
CID 9475634
2-[[2-[(4-bromobenzoyl)amino]acetyl]-methylamino]propanoic acid
CID 62627271
4-bromo-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 8892305
4-tert-butyl-N-[2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-oxoethyl]benzamide
CID 51186193
3-bromo-N-[2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-oxoethyl]benzamide
CID 51193380
(2R)-2-[[2-[(4-bromobenzoyl)amino]acetyl]amino]-3-methylbutanoic acid
CID 79009373
N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-propan-2-ylbenzamide
CID 9475393
4-iodo-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 31749087
4-bromo-N-(2-oxopropyl)benzamide
CID 64997331
N-(4-bromophenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 9048943

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 4-bromo-N-[2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-oxoethyl]benzamide (CID 9475595) is 4-bromo-N-[2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-bromo-N-[2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-bromo-N-[2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-oxoethyl]benzamide is CC(C)NC(=O)CN(C)C(=O)CNC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-oxoethyl]benzamide?
The InChIKey is YHVRYHQHOZBAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O3/c1-10(2)18-13(20)9-19(3)14(21)8-17-15(22)11-4-6-12(16)7-5-11/h4-7,10H,8-9H2,1-3H3,(H,17,22)(H,18,20).
What are the key properties of 4-bromo-N-[2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-oxoethyl]benzamide?
4-bromo-N-[2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-oxoethyl]benzamide has a molecular weight of 370.25 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 9475595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).