N-(2-bromophenyl)-N'-butyl-N'-methylpropanediamide

C14H19BrN2O2 — CID 108952078

IUPACN-(2-bromophenyl)-N'-butyl-N'-methylpropanediamide
SMILESCCCCN(C)C(=O)CC(=O)Nc1ccccc1Br
InChIInChI=1S/C14H19BrN2O2/c1-3-4-9-17(2)14(19)10-13(18)16-12-8-6-5-7-11(12)15/h5-8H,3-4,9-10H2,1-2H3,(H,16,18)
InChIKeyNFTLMQKOVQWQQG-UHFFFAOYSA-N
MW327.22 g/mol
LogP3.04
Rot. Bonds6

About N-(2-bromophenyl)-N'-butyl-N'-methylpropanediamide

N-(2-bromophenyl)-N'-butyl-N'-methylpropanediamide (PubChem CID 108952078) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is N-(2-bromophenyl)-N'-butyl-N'-methylpropanediamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-N'-butyl-N'-methylpropanediamide
PubChem CID108952078
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC NameN-(2-bromophenyl)-N'-butyl-N'-methylpropanediamide
SMILESCCCCN(C)C(=O)CC(=O)Nc1ccccc1Br
InChIInChI=1S/C14H19BrN2O2/c1-3-4-9-17(2)14(19)10-13(18)16-12-8-6-5-7-11(12)15/h5-8H,3-4,9-10H2,1-2H3,(H,16,18)
InChIKeyNFTLMQKOVQWQQG-UHFFFAOYSA-N
XLogP3.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylpentanamide
CID 27800739
N-(2-bromophenyl)butanamide
CID 732405
2-[acetyl(pentyl)amino]-N-(2-bromophenyl)acetamide
CID 113166810
N-benzyl-N'-butyl-N'-methylpropanediamide
CID 108945252
N-[2-(2-bromoanilino)-2-oxoethyl]pentanamide
CID 18112658
N-(2-bromophenyl)-2-(dimethylamino)acetamide;hydrochloride
CID 2959503
N-(2-bromophenyl)-2-(hexylamino)acetamide
CID 60648819
2-N-(2-bromophenyl)-4-N-butyl-4-N-methylpyridine-2,4-dicarboxamide
CID 109090010
methyl 2-[[2-(2-bromoanilino)-2-oxoethyl]-propylamino]acetate
CID 61036321
N,N'-bis(2-bromophenyl)butanediamide
CID 1039657
N-(2-bromophenyl)-2-[3-(dimethylamino)propylamino]acetamide
CID 28583681
N'-(2-bromophenyl)-N-(2-methylphenyl)propanediamide
CID 108952966

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-N'-butyl-N'-methylpropanediamide?
The IUPAC name of N-(2-bromophenyl)-N'-butyl-N'-methylpropanediamide (CID 108952078) is N-(2-bromophenyl)-N'-butyl-N'-methylpropanediamide.
What is the SMILES notation for N-(2-bromophenyl)-N'-butyl-N'-methylpropanediamide?
The canonical SMILES for N-(2-bromophenyl)-N'-butyl-N'-methylpropanediamide is CCCCN(C)C(=O)CC(=O)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-N'-butyl-N'-methylpropanediamide?
The InChIKey is NFTLMQKOVQWQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-3-4-9-17(2)14(19)10-13(18)16-12-8-6-5-7-11(12)15/h5-8H,3-4,9-10H2,1-2H3,(H,16,18).
What are the key properties of N-(2-bromophenyl)-N'-butyl-N'-methylpropanediamide?
N-(2-bromophenyl)-N'-butyl-N'-methylpropanediamide has a molecular weight of 327.22 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-N'-butyl-N'-methylpropanediamide is sourced from PubChem (CID 108952078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).