N-(3-bromophenyl)-2-[[(2S)-1-(4,5-dimethylimidazol-1-yl)propan-2-yl]amino]acetamide

C16H21BrN4O — CID 97341330

IUPACN-(3-bromophenyl)-2-[[(2S)-1-(4,5-dimethylimidazol-1-yl)propan-2-yl]amino]acetamide
SMILESCc1ncn(C[C@H](C)NCC(=O)Nc2cccc(Br)c2)c1C
InChIInChI=1S/C16H21BrN4O/c1-11(9-21-10-19-12(2)13(21)3)18-8-16(22)20-15-6-4-5-14(17)7-15/h4-7,10-11,18H,8-9H2,1-3H3,(H,20,22)/t11-/m0/s1
InChIKeyILGCMFHZJCDEDT-NSHDSACASA-N
MW365.28 g/mol
LogP2.88
Rot. Bonds6

About N-(3-bromophenyl)-2-[[(2S)-1-(4,5-dimethylimidazol-1-yl)propan-2-yl]amino]acetamide

N-(3-bromophenyl)-2-[[(2S)-1-(4,5-dimethylimidazol-1-yl)propan-2-yl]amino]acetamide (PubChem CID 97341330) has the molecular formula C16H21BrN4O and a molecular weight of 365.28 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-[[(2S)-1-(4,5-dimethylimidazol-1-yl)propan-2-yl]amino]acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-[[(2S)-1-(4,5-dimethylimidazol-1-yl)propan-2-yl]amino]acetamide
PubChem CID97341330
Molecular FormulaC16H21BrN4O
Molecular Weight365.28 g/mol
Exact Mass364.09
IUPAC NameN-(3-bromophenyl)-2-[[(2S)-1-(4,5-dimethylimidazol-1-yl)propan-2-yl]amino]acetamide
SMILESCc1ncn(C[C@H](C)NCC(=O)Nc2cccc(Br)c2)c1C
InChIInChI=1S/C16H21BrN4O/c1-11(9-21-10-19-12(2)13(21)3)18-8-16(22)20-15-6-4-5-14(17)7-15/h4-7,10-11,18H,8-9H2,1-3H3,(H,20,22)/t11-/m0/s1
InChIKeyILGCMFHZJCDEDT-NSHDSACASA-N
XLogP2.88
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.28
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromophenyl)-2-(3-methylbutylamino)acetamide
CID 28576518
N-(3-bromophenyl)-2-(1-thiophen-3-ylpropan-2-ylamino)acetamide
CID 61473952
2-[[2-(3-bromoanilino)-2-oxoethyl]amino]-N-ethylpropanamide
CID 60696138
2-[[2-(3-bromoanilino)-2-oxoethyl]amino]-N-tert-butylpropanamide
CID 115745368
2-[[2-(3-bromoanilino)-2-oxoethyl]amino]-3-methylbutanamide
CID 103914228
N-(3-chlorophenyl)-2-(4,5-dimethylimidazol-1-yl)acetamide
CID 115616708
2-(4,5-dimethylimidazol-1-yl)-N-(3-fluorophenyl)acetamide
CID 115616714
N-(3-bromophenyl)-2-(2-methylprop-2-enylamino)acetamide
CID 115745377
N-(3-bromophenyl)-2-(2-methylbutylamino)acetamide
CID 62693083
N-[2-(3-bromoanilino)-2-oxoethyl]propanamide
CID 113000509
(2R)-N-(3-bromophenyl)-2-methylbutanamide
CID 670010
N-(3-bromophenyl)-3-(ethylamino)butanamide
CID 62838058

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-[[(2S)-1-(4,5-dimethylimidazol-1-yl)propan-2-yl]amino]acetamide?
The IUPAC name of N-(3-bromophenyl)-2-[[(2S)-1-(4,5-dimethylimidazol-1-yl)propan-2-yl]amino]acetamide (CID 97341330) is N-(3-bromophenyl)-2-[[(2S)-1-(4,5-dimethylimidazol-1-yl)propan-2-yl]amino]acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-[[(2S)-1-(4,5-dimethylimidazol-1-yl)propan-2-yl]amino]acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-[[(2S)-1-(4,5-dimethylimidazol-1-yl)propan-2-yl]amino]acetamide is Cc1ncn(C[C@H](C)NCC(=O)Nc2cccc(Br)c2)c1C.
What is the InChIKey of N-(3-bromophenyl)-2-[[(2S)-1-(4,5-dimethylimidazol-1-yl)propan-2-yl]amino]acetamide?
The InChIKey is ILGCMFHZJCDEDT-NSHDSACASA-N. The full InChI is InChI=1S/C16H21BrN4O/c1-11(9-21-10-19-12(2)13(21)3)18-8-16(22)20-15-6-4-5-14(17)7-15/h4-7,10-11,18H,8-9H2,1-3H3,(H,20,22)/t11-/m0/s1.
What are the key properties of N-(3-bromophenyl)-2-[[(2S)-1-(4,5-dimethylimidazol-1-yl)propan-2-yl]amino]acetamide?
N-(3-bromophenyl)-2-[[(2S)-1-(4,5-dimethylimidazol-1-yl)propan-2-yl]amino]acetamide has a molecular weight of 365.28 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-[[(2S)-1-(4,5-dimethylimidazol-1-yl)propan-2-yl]amino]acetamide is sourced from PubChem (CID 97341330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).