2-[[1-(2-bromophenyl)cyclopropyl]amino]-N-propylacetamide

C14H19BrN2O — CID 75515851

IUPAC2-[[1-(2-bromophenyl)cyclopropyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CNC1(c2ccccc2Br)CC1
InChIInChI=1S/C14H19BrN2O/c1-2-9-16-13(18)10-17-14(7-8-14)11-5-3-4-6-12(11)15/h3-6,17H,2,7-10H2,1H3,(H,16,18)
InChIKeyRNUMHQBMBPOOSG-UHFFFAOYSA-N
MW311.22 g/mol
LogP2.55
Rot. Bonds6

About 2-[[1-(2-bromophenyl)cyclopropyl]amino]-N-propylacetamide

2-[[1-(2-bromophenyl)cyclopropyl]amino]-N-propylacetamide (PubChem CID 75515851) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is 2-[[1-(2-bromophenyl)cyclopropyl]amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[1-(2-bromophenyl)cyclopropyl]amino]-N-propylacetamide
PubChem CID75515851
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name2-[[1-(2-bromophenyl)cyclopropyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CNC1(c2ccccc2Br)CC1
InChIInChI=1S/C14H19BrN2O/c1-2-9-16-13(18)10-17-14(7-8-14)11-5-3-4-6-12(11)15/h3-6,17H,2,7-10H2,1H3,(H,16,18)
InChIKeyRNUMHQBMBPOOSG-UHFFFAOYSA-N
XLogP2.55
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[[1-(2-bromophenyl)cyclopropyl]amino]-N-propylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,6-dibromoanilino)-N-propylacetamide
CID 107598911
N-[1-(2-bromophenyl)cyclopropyl]-2-chloroacetamide
CID 166404070
2-bromo-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 18162727
3-[[1-(2-bromophenyl)cyclobutyl]amino]propanoic acid
CID 167750749
2-[(2-bromophenyl)sulfonylamino]-N-propylacetamide
CID 18192043
1-[1-(2-aminophenyl)cyclopropyl]-3-propylurea
CID 110491057
2-[[N-[(2-bromophenyl)methyl]-N,N'-dimethylcarbamimidoyl]amino]-N-propylacetamide
CID 111275999
N-[[5-(2-bromophenyl)spiro[2.3]hexan-5-yl]methyl]propan-1-amine
CID 65008193
(2S)-2-[(2-bromophenyl)methylsulfanyl]-N-propylpropanamide
CID 95152378
1-[[1-(2-bromophenyl)cyclopropyl]methyl]-3-(2-hydroxyethyl)urea
CID 111458940
2-amino-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-2-methylpentanamide
CID 119800186
3-amino-4-bromo-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 61092685

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-bromophenyl)cyclopropyl]amino]-N-propylacetamide?
The IUPAC name of 2-[[1-(2-bromophenyl)cyclopropyl]amino]-N-propylacetamide (CID 75515851) is 2-[[1-(2-bromophenyl)cyclopropyl]amino]-N-propylacetamide.
What is the SMILES notation for 2-[[1-(2-bromophenyl)cyclopropyl]amino]-N-propylacetamide?
The canonical SMILES for 2-[[1-(2-bromophenyl)cyclopropyl]amino]-N-propylacetamide is CCCNC(=O)CNC1(c2ccccc2Br)CC1.
What is the InChIKey of 2-[[1-(2-bromophenyl)cyclopropyl]amino]-N-propylacetamide?
The InChIKey is RNUMHQBMBPOOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-2-9-16-13(18)10-17-14(7-8-14)11-5-3-4-6-12(11)15/h3-6,17H,2,7-10H2,1H3,(H,16,18).
What are the key properties of 2-[[1-(2-bromophenyl)cyclopropyl]amino]-N-propylacetamide?
2-[[1-(2-bromophenyl)cyclopropyl]amino]-N-propylacetamide has a molecular weight of 311.22 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-bromophenyl)cyclopropyl]amino]-N-propylacetamide is sourced from PubChem (CID 75515851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).