N-(4-bromo-2-cyanophenyl)-3-(cyclopropylamino)propanamide

C13H14BrN3O — CID 82707532

IUPACN-(4-bromo-2-cyanophenyl)-3-(cyclopropylamino)propanamide
SMILESN#Cc1cc(Br)ccc1NC(=O)CCNC1CC1
InChIInChI=1S/C13H14BrN3O/c14-10-1-4-12(9(7-10)8-15)17-13(18)5-6-16-11-2-3-11/h1,4,7,11,16H,2-3,5-6H2,(H,17,18)
InChIKeyAGBGVHTWCDJJFW-UHFFFAOYSA-N
MW308.18 g/mol
LogP2.40
Rot. Bonds5

About N-(4-bromo-2-cyanophenyl)-3-(cyclopropylamino)propanamide

N-(4-bromo-2-cyanophenyl)-3-(cyclopropylamino)propanamide (PubChem CID 82707532) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is N-(4-bromo-2-cyanophenyl)-3-(cyclopropylamino)propanamide.

Molecular Properties

Compound NameN-(4-bromo-2-cyanophenyl)-3-(cyclopropylamino)propanamide
PubChem CID82707532
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC NameN-(4-bromo-2-cyanophenyl)-3-(cyclopropylamino)propanamide
SMILESN#Cc1cc(Br)ccc1NC(=O)CCNC1CC1
InChIInChI=1S/C13H14BrN3O/c14-10-1-4-12(9(7-10)8-15)17-13(18)5-6-16-11-2-3-11/h1,4,7,11,16H,2-3,5-6H2,(H,17,18)
InChIKeyAGBGVHTWCDJJFW-UHFFFAOYSA-N
XLogP2.40
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-cyanophenyl)-3-(methylamino)propanamide
CID 82707862
N-(4-bromo-2-cyanophenyl)-4-(methylamino)butanamide
CID 82707852
2-(4-bromo-2-cyanoanilino)-N-cyclopropylacetamide
CID 82707597
3-amino-N-(4-bromo-2-cyanophenyl)-3-cyclopropylpropanamide
CID 82708527
N-(4-bromophenyl)-3-(cyclopropylamino)propanamide
CID 60723258
N-(4-bromo-2-cyanophenyl)-3-(2,2-difluoroethoxy)propanamide
CID 103208294
(4-bromo-2-cyanophenyl)urea
CID 82708837
2-(1-aminocyclopentyl)-N-(4-bromo-2-cyanophenyl)acetamide
CID 82708203
3-(cyclopropylamino)-N-(2,4-dichlorophenyl)propanamide
CID 60722944
N-(4-bromo-2-cyanophenyl)-3,4,4-trimethylpentanamide
CID 82707700
N-(4-bromo-2-cyanophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112602644
N-(5-cyano-3-fluoro-2-methylphenyl)-3-(cyclopropylamino)propanamide
CID 54925369

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-cyanophenyl)-3-(cyclopropylamino)propanamide?
The IUPAC name of N-(4-bromo-2-cyanophenyl)-3-(cyclopropylamino)propanamide (CID 82707532) is N-(4-bromo-2-cyanophenyl)-3-(cyclopropylamino)propanamide.
What is the SMILES notation for N-(4-bromo-2-cyanophenyl)-3-(cyclopropylamino)propanamide?
The canonical SMILES for N-(4-bromo-2-cyanophenyl)-3-(cyclopropylamino)propanamide is N#Cc1cc(Br)ccc1NC(=O)CCNC1CC1.
What is the InChIKey of N-(4-bromo-2-cyanophenyl)-3-(cyclopropylamino)propanamide?
The InChIKey is AGBGVHTWCDJJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c14-10-1-4-12(9(7-10)8-15)17-13(18)5-6-16-11-2-3-11/h1,4,7,11,16H,2-3,5-6H2,(H,17,18).
What are the key properties of N-(4-bromo-2-cyanophenyl)-3-(cyclopropylamino)propanamide?
N-(4-bromo-2-cyanophenyl)-3-(cyclopropylamino)propanamide has a molecular weight of 308.18 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-cyanophenyl)-3-(cyclopropylamino)propanamide is sourced from PubChem (CID 82707532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).