N-(4-bromophenyl)-3-(5-methylfuran-2-yl)propanamide

C14H14BrNO2 — CID 754985

IUPACN-(4-bromophenyl)-3-(5-methylfuran-2-yl)propanamide
SMILESCc1ccc(CCC(=O)Nc2ccc(Br)cc2)o1
InChIInChI=1S/C14H14BrNO2/c1-10-2-7-13(18-10)8-9-14(17)16-12-5-3-11(15)4-6-12/h2-7H,8-9H2,1H3,(H,16,17)
InChIKeyJABYCOOMMCQRJC-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.92
Rot. Bonds4

About N-(4-bromophenyl)-3-(5-methylfuran-2-yl)propanamide

N-(4-bromophenyl)-3-(5-methylfuran-2-yl)propanamide (PubChem CID 754985) has the molecular formula C14H14BrNO2 and a molecular weight of 308.18 g/mol. Its IUPAC name is N-(4-bromophenyl)-3-(5-methylfuran-2-yl)propanamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-3-(5-methylfuran-2-yl)propanamide
PubChem CID754985
Molecular FormulaC14H14BrNO2
Molecular Weight308.18 g/mol
Exact Mass307.02
IUPAC NameN-(4-bromophenyl)-3-(5-methylfuran-2-yl)propanamide
SMILESCc1ccc(CCC(=O)Nc2ccc(Br)cc2)o1
InChIInChI=1S/C14H14BrNO2/c1-10-2-7-13(18-10)8-9-14(17)16-12-5-3-11(15)4-6-12/h2-7H,8-9H2,1H3,(H,16,17)
InChIKeyJABYCOOMMCQRJC-UHFFFAOYSA-N
XLogP3.92
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chlorophenyl)-3-(5-methylfuran-2-yl)propanamide
CID 565664
3-(5-ethylfuran-2-yl)-N-(4-ethylphenyl)propanamide
CID 942220
N-(4-chlorophenyl)-3-(5-ethylfuran-2-yl)propanamide
CID 942336
3-(5-methylfuran-2-yl)-N-(4-nitrophenyl)propanamide
CID 2887620
N-(4-ethylphenyl)-3-(5-methylfuran-2-yl)propanamide
CID 2952210
N-[4-(dimethylamino)phenyl]-3-(5-methylfuran-2-yl)propanamide
CID 2981957
N-(2-bromo-4-methylphenyl)-3-(5-methylfuran-2-yl)propanamide
CID 2987393
N-(3,5-dimethylphenyl)-3-(5-methylfuran-2-yl)propanamide
CID 6489243
(2E)-N-(3-bromophenyl)-2-cyano-3-(5-methylfuran-2-yl)prop-2-enamide
CID 729760
N-(4-acetylphenyl)-3-(5-ethylfuran-2-yl)propanamide
CID 941877
(2E)-N-(4-bromophenyl)-2-cyano-3-(5-methylfuran-2-yl)prop-2-enamide
CID 729756
(2Z)-3-(5-bromofuran-2-yl)-2-cyano-N-(4-methoxyphenyl)prop-2-enamide
CID 1877335

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3-(5-methylfuran-2-yl)propanamide?
The IUPAC name of N-(4-bromophenyl)-3-(5-methylfuran-2-yl)propanamide (CID 754985) is N-(4-bromophenyl)-3-(5-methylfuran-2-yl)propanamide.
What is the SMILES notation for N-(4-bromophenyl)-3-(5-methylfuran-2-yl)propanamide?
The canonical SMILES for N-(4-bromophenyl)-3-(5-methylfuran-2-yl)propanamide is Cc1ccc(CCC(=O)Nc2ccc(Br)cc2)o1.
What is the InChIKey of N-(4-bromophenyl)-3-(5-methylfuran-2-yl)propanamide?
The InChIKey is JABYCOOMMCQRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2/c1-10-2-7-13(18-10)8-9-14(17)16-12-5-3-11(15)4-6-12/h2-7H,8-9H2,1H3,(H,16,17).
What are the key properties of N-(4-bromophenyl)-3-(5-methylfuran-2-yl)propanamide?
N-(4-bromophenyl)-3-(5-methylfuran-2-yl)propanamide has a molecular weight of 308.18 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3-(5-methylfuran-2-yl)propanamide is sourced from PubChem (CID 754985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).