(2S)-N-[2-(4-bromoanilino)-2-oxoethyl]-2-(dimethylamino)pentanamide

C15H22BrN3O2 — CID 97097882

IUPAC(2S)-N-[2-(4-bromoanilino)-2-oxoethyl]-2-(dimethylamino)pentanamide
SMILESCCC[C@@H](C(=O)NCC(=O)Nc1ccc(Br)cc1)N(C)C
InChIInChI=1S/C15H22BrN3O2/c1-4-5-13(19(2)3)15(21)17-10-14(20)18-12-8-6-11(16)7-9-12/h6-9,13H,4-5,10H2,1-3H3,(H,17,21)(H,18,20)/t13-/m0/s1
InChIKeyLLDGKJRIGAPSOR-ZDUSSCGKSA-N
MW356.26 g/mol
LogP2.23
Rot. Bonds7

About (2S)-N-[2-(4-bromoanilino)-2-oxoethyl]-2-(dimethylamino)pentanamide

(2S)-N-[2-(4-bromoanilino)-2-oxoethyl]-2-(dimethylamino)pentanamide (PubChem CID 97097882) has the molecular formula C15H22BrN3O2 and a molecular weight of 356.26 g/mol. Its IUPAC name is (2S)-N-[2-(4-bromoanilino)-2-oxoethyl]-2-(dimethylamino)pentanamide.

Molecular Properties

Compound Name(2S)-N-[2-(4-bromoanilino)-2-oxoethyl]-2-(dimethylamino)pentanamide
PubChem CID97097882
Molecular FormulaC15H22BrN3O2
Molecular Weight356.26 g/mol
Exact Mass355.09
IUPAC Name(2S)-N-[2-(4-bromoanilino)-2-oxoethyl]-2-(dimethylamino)pentanamide
SMILESCCC[C@@H](C(=O)NCC(=O)Nc1ccc(Br)cc1)N(C)C
InChIInChI=1S/C15H22BrN3O2/c1-4-5-13(19(2)3)15(21)17-10-14(20)18-12-8-6-11(16)7-9-12/h6-9,13H,4-5,10H2,1-3H3,(H,17,21)(H,18,20)/t13-/m0/s1
InChIKeyLLDGKJRIGAPSOR-ZDUSSCGKSA-N
XLogP2.23
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.26
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-2-(2,2-dimethylhydrazinyl)acetamide
CID 83014365
(2S)-2-[[2-[(4-bromophenyl)carbamoylamino]acetyl]amino]pentanoic acid
CID 126520434
(2R)-2-amino-N-(4-bromophenyl)pentanamide
CID 103793741
N-[2-(4-bromoanilino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 36899593
2-(4-bromophenyl)-N-[2-(4-ethylanilino)-2-oxoethyl]acetamide
CID 112996813
N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-2-ethylbutanamide
CID 110407235
2-amino-N-[2-(4-fluoroanilino)-2-oxoethyl]pentanamide
CID 119308727
N-[2-(4-bromoanilino)-2-oxoethyl]-N'-(4-methylphenyl)oxamide
CID 124626154
N-(4-bromophenyl)-2-(butan-2-ylamino)acetamide
CID 43179384
2-(4-bromophenyl)-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 112996188
N-(2-anilino-2-oxoethyl)-2-(4-bromophenyl)-3-methylbutanamide
CID 110313069
4-[[2-(4-bromoanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54811247

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(4-bromoanilino)-2-oxoethyl]-2-(dimethylamino)pentanamide?
The IUPAC name of (2S)-N-[2-(4-bromoanilino)-2-oxoethyl]-2-(dimethylamino)pentanamide (CID 97097882) is (2S)-N-[2-(4-bromoanilino)-2-oxoethyl]-2-(dimethylamino)pentanamide.
What is the SMILES notation for (2S)-N-[2-(4-bromoanilino)-2-oxoethyl]-2-(dimethylamino)pentanamide?
The canonical SMILES for (2S)-N-[2-(4-bromoanilino)-2-oxoethyl]-2-(dimethylamino)pentanamide is CCC[C@@H](C(=O)NCC(=O)Nc1ccc(Br)cc1)N(C)C.
What is the InChIKey of (2S)-N-[2-(4-bromoanilino)-2-oxoethyl]-2-(dimethylamino)pentanamide?
The InChIKey is LLDGKJRIGAPSOR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22BrN3O2/c1-4-5-13(19(2)3)15(21)17-10-14(20)18-12-8-6-11(16)7-9-12/h6-9,13H,4-5,10H2,1-3H3,(H,17,21)(H,18,20)/t13-/m0/s1.
What are the key properties of (2S)-N-[2-(4-bromoanilino)-2-oxoethyl]-2-(dimethylamino)pentanamide?
(2S)-N-[2-(4-bromoanilino)-2-oxoethyl]-2-(dimethylamino)pentanamide has a molecular weight of 356.26 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(4-bromoanilino)-2-oxoethyl]-2-(dimethylamino)pentanamide is sourced from PubChem (CID 97097882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).