N-(3-bromophenyl)-3-(ethylamino)butanamide

C12H17BrN2O — CID 62838058

IUPACN-(3-bromophenyl)-3-(ethylamino)butanamide
SMILESCCNC(C)CC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C12H17BrN2O/c1-3-14-9(2)7-12(16)15-11-6-4-5-10(13)8-11/h4-6,8-9,14H,3,7H2,1-2H3,(H,15,16)
InChIKeySDVGVOOTDWJHFM-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.78
Rot. Bonds5

About N-(3-bromophenyl)-3-(ethylamino)butanamide

N-(3-bromophenyl)-3-(ethylamino)butanamide (PubChem CID 62838058) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is N-(3-bromophenyl)-3-(ethylamino)butanamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-3-(ethylamino)butanamide
PubChem CID62838058
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC NameN-(3-bromophenyl)-3-(ethylamino)butanamide
SMILESCCNC(C)CC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C12H17BrN2O/c1-3-14-9(2)7-12(16)15-11-6-4-5-10(13)8-11/h4-6,8-9,14H,3,7H2,1-2H3,(H,15,16)
InChIKeySDVGVOOTDWJHFM-UHFFFAOYSA-N
XLogP2.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-3-methylphenyl)-3-(ethylamino)butanamide
CID 62838768
2-[[2-(3-bromoanilino)-2-oxoethyl]amino]-N-ethylpropanamide
CID 60696138
N-(3-bromophenyl)-4-methyl-3-oxopentanamide
CID 134357858
(3R)-N-(3-bromophenyl)-3-pyrazol-1-ylbutanamide
CID 92708090
(2R)-N-(3-bromophenyl)-2-methylbutanamide
CID 670010
N-(3-chloro-4-methylphenyl)-3-(ethylamino)butanamide
CID 60663237
3-(ethylamino)-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide
CID 62838310
N-(3,5-dichlorophenyl)-3-(ethylamino)butanamide
CID 62839661
3-(ethylamino)-N-quinoxalin-6-ylbutanamide
CID 62839375
N-(3-bromophenyl)-2-(2-methylbutylamino)acetamide
CID 62693083
3-(ethylamino)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide
CID 62837372
(3R)-N-(3-bromophenyl)-3-methyl-N'-prop-2-enylpentanediamide
CID 7330187

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-3-(ethylamino)butanamide?
The IUPAC name of N-(3-bromophenyl)-3-(ethylamino)butanamide (CID 62838058) is N-(3-bromophenyl)-3-(ethylamino)butanamide.
What is the SMILES notation for N-(3-bromophenyl)-3-(ethylamino)butanamide?
The canonical SMILES for N-(3-bromophenyl)-3-(ethylamino)butanamide is CCNC(C)CC(=O)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-3-(ethylamino)butanamide?
The InChIKey is SDVGVOOTDWJHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-3-14-9(2)7-12(16)15-11-6-4-5-10(13)8-11/h4-6,8-9,14H,3,7H2,1-2H3,(H,15,16).
What are the key properties of N-(3-bromophenyl)-3-(ethylamino)butanamide?
N-(3-bromophenyl)-3-(ethylamino)butanamide has a molecular weight of 285.19 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-3-(ethylamino)butanamide is sourced from PubChem (CID 62838058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).