2-[[2-(3-bromoanilino)-2-oxoethyl]amino]-N-ethylpropanamide

C13H18BrN3O2 — CID 60696138

IUPAC2-[[2-(3-bromoanilino)-2-oxoethyl]amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NCC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C13H18BrN3O2/c1-3-15-13(19)9(2)16-8-12(18)17-11-6-4-5-10(14)7-11/h4-7,9,16H,3,8H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyKKMNUEWQTPHYME-UHFFFAOYSA-N
MW328.21 g/mol
LogP1.50
Rot. Bonds6

About 2-[[2-(3-bromoanilino)-2-oxoethyl]amino]-N-ethylpropanamide

2-[[2-(3-bromoanilino)-2-oxoethyl]amino]-N-ethylpropanamide (PubChem CID 60696138) has the molecular formula C13H18BrN3O2 and a molecular weight of 328.21 g/mol. Its IUPAC name is 2-[[2-(3-bromoanilino)-2-oxoethyl]amino]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[[2-(3-bromoanilino)-2-oxoethyl]amino]-N-ethylpropanamide
PubChem CID60696138
Molecular FormulaC13H18BrN3O2
Molecular Weight328.21 g/mol
Exact Mass327.06
IUPAC Name2-[[2-(3-bromoanilino)-2-oxoethyl]amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NCC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C13H18BrN3O2/c1-3-15-13(19)9(2)16-8-12(18)17-11-6-4-5-10(14)7-11/h4-7,9,16H,3,8H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyKKMNUEWQTPHYME-UHFFFAOYSA-N
XLogP1.50
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(3-bromoanilino)-2-oxoethyl]amino]-N-tert-butylpropanamide
CID 115745368
N-(3-bromophenyl)-3-(ethylamino)butanamide
CID 62838058
N-methyl-2-[[2-(3-methylanilino)-2-oxoethyl]amino]propanamide
CID 54950375
N-[2-(3-bromoanilino)-2-oxoethyl]propanamide
CID 113000509
2-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-ethylpropanamide
CID 60696183
2-[[2-(3-bromoanilino)-2-oxoethyl]amino]-3-methylbutanamide
CID 103914228
N-(3-bromophenyl)-2-(pent-1-yn-3-ylamino)acetamide
CID 106229271
N-(3-bromophenyl)-2-(2-methylbutylamino)acetamide
CID 62693083
2-[[2-(3-methylanilino)-2-oxoethyl]amino]propanoic acid
CID 43467219
(2R)-N-(3-bromophenyl)-2-methylbutanamide
CID 670010
2-[[(2S)-butan-2-yl]amino]-N-(3-methylphenyl)acetamide
CID 2386923
N-(3-bromophenyl)-2-(hex-1-yn-3-ylamino)acetamide
CID 106229957

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-bromoanilino)-2-oxoethyl]amino]-N-ethylpropanamide?
The IUPAC name of 2-[[2-(3-bromoanilino)-2-oxoethyl]amino]-N-ethylpropanamide (CID 60696138) is 2-[[2-(3-bromoanilino)-2-oxoethyl]amino]-N-ethylpropanamide.
What is the SMILES notation for 2-[[2-(3-bromoanilino)-2-oxoethyl]amino]-N-ethylpropanamide?
The canonical SMILES for 2-[[2-(3-bromoanilino)-2-oxoethyl]amino]-N-ethylpropanamide is CCNC(=O)C(C)NCC(=O)Nc1cccc(Br)c1.
What is the InChIKey of 2-[[2-(3-bromoanilino)-2-oxoethyl]amino]-N-ethylpropanamide?
The InChIKey is KKMNUEWQTPHYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O2/c1-3-15-13(19)9(2)16-8-12(18)17-11-6-4-5-10(14)7-11/h4-7,9,16H,3,8H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 2-[[2-(3-bromoanilino)-2-oxoethyl]amino]-N-ethylpropanamide?
2-[[2-(3-bromoanilino)-2-oxoethyl]amino]-N-ethylpropanamide has a molecular weight of 328.21 g/mol, XLogP of 1.50, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-bromoanilino)-2-oxoethyl]amino]-N-ethylpropanamide is sourced from PubChem (CID 60696138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).