N-(4-bromonaphthalen-1-yl)-2-cyanopropanamide

C14H11BrN2O — CID 113349937

IUPACN-(4-bromonaphthalen-1-yl)-2-cyanopropanamide
SMILESCC(C#N)C(=O)Nc1ccc(Br)c2ccccc12
InChIInChI=1S/C14H11BrN2O/c1-9(8-16)14(18)17-13-7-6-12(15)10-4-2-3-5-11(10)13/h2-7,9H,1H3,(H,17,18)
InChIKeyQEVPNHPNOYNSSS-UHFFFAOYSA-N
MW303.16 g/mol
LogP3.70
Rot. Bonds2

About N-(4-bromonaphthalen-1-yl)-2-cyanopropanamide

N-(4-bromonaphthalen-1-yl)-2-cyanopropanamide (PubChem CID 113349937) has the molecular formula C14H11BrN2O and a molecular weight of 303.16 g/mol. Its IUPAC name is N-(4-bromonaphthalen-1-yl)-2-cyanopropanamide.

Molecular Properties

Compound NameN-(4-bromonaphthalen-1-yl)-2-cyanopropanamide
PubChem CID113349937
Molecular FormulaC14H11BrN2O
Molecular Weight303.16 g/mol
Exact Mass302.01
IUPAC NameN-(4-bromonaphthalen-1-yl)-2-cyanopropanamide
SMILESCC(C#N)C(=O)Nc1ccc(Br)c2ccccc12
InChIInChI=1S/C14H11BrN2O/c1-9(8-16)14(18)17-13-7-6-12(15)10-4-2-3-5-11(10)13/h2-7,9H,1H3,(H,17,18)
InChIKeyQEVPNHPNOYNSSS-UHFFFAOYSA-N
XLogP3.70
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromonaphthalen-1-yl)-2-phenylpropanamide
CID 2930699
N-(4-bromonaphthalen-1-yl)-2-ethylbutanamide
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N-(2-bromo-5-methylphenyl)-2-cyanopropanamide
CID 82757747
2-amino-N-(4-bromonaphthalen-1-yl)butanamide
CID 113384503
N-(4-bromonaphthalen-1-yl)-2-cyano-2-methylpropanamide
CID 115898158
N-(4-bromo-2-cyanophenyl)-2-cyanopropanamide
CID 82708389
2-cyano-N-(2,4-difluorophenyl)propanamide
CID 55208250
N-(3-bromo-4-fluorophenyl)-2-cyanopropanamide
CID 115664983
2-[acetyl(methyl)amino]-N-(4-bromonaphthalen-1-yl)acetamide
CID 86814487
1-(4-bromonaphthalen-1-yl)-3-(pyridin-4-ylmethyl)urea
CID 168868759
1-(1-cyanoethyl)-3-naphthalen-1-ylurea
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(2S)-2-amino-N-(4-hydroxynaphthalen-1-yl)propanamide;hydrochloride
CID 46179715

Frequently Asked Questions

What is the IUPAC name of N-(4-bromonaphthalen-1-yl)-2-cyanopropanamide?
The IUPAC name of N-(4-bromonaphthalen-1-yl)-2-cyanopropanamide (CID 113349937) is N-(4-bromonaphthalen-1-yl)-2-cyanopropanamide.
What is the SMILES notation for N-(4-bromonaphthalen-1-yl)-2-cyanopropanamide?
The canonical SMILES for N-(4-bromonaphthalen-1-yl)-2-cyanopropanamide is CC(C#N)C(=O)Nc1ccc(Br)c2ccccc12.
What is the InChIKey of N-(4-bromonaphthalen-1-yl)-2-cyanopropanamide?
The InChIKey is QEVPNHPNOYNSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O/c1-9(8-16)14(18)17-13-7-6-12(15)10-4-2-3-5-11(10)13/h2-7,9H,1H3,(H,17,18).
What are the key properties of N-(4-bromonaphthalen-1-yl)-2-cyanopropanamide?
N-(4-bromonaphthalen-1-yl)-2-cyanopropanamide has a molecular weight of 303.16 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromonaphthalen-1-yl)-2-cyanopropanamide is sourced from PubChem (CID 113349937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).