N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-methylbenzamide

C19H16BrNO2 — CID 9204101

IUPACN-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCc2ccc(-c3ccc(Br)cc3)o2)c1
InChIInChI=1S/C19H16BrNO2/c1-13-3-2-4-15(11-13)19(22)21-12-17-9-10-18(23-17)14-5-7-16(20)8-6-14/h2-11H,12H2,1H3,(H,21,22)
InChIKeyZMKFWAOHZWIBCJ-UHFFFAOYSA-N
MW370.25 g/mol
LogP4.95
Rot. Bonds4

About N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-methylbenzamide

N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-methylbenzamide (PubChem CID 9204101) has the molecular formula C19H16BrNO2 and a molecular weight of 370.25 g/mol. Its IUPAC name is N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-methylbenzamide
PubChem CID9204101
Molecular FormulaC19H16BrNO2
Molecular Weight370.25 g/mol
Exact Mass369.04
IUPAC NameN-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCc2ccc(-c3ccc(Br)cc3)o2)c1
InChIInChI=1S/C19H16BrNO2/c1-13-3-2-4-15(11-13)19(22)21-12-17-9-10-18(23-17)14-5-7-16(20)8-6-14/h2-11H,12H2,1H3,(H,21,22)
InChIKeyZMKFWAOHZWIBCJ-UHFFFAOYSA-N
XLogP4.95
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.25
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-methylbenzamide 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

N-[[5-(4-bromophenyl)furan-2-yl]methyl]-5-methylfuran-2-carboxamide
CID 46683025
N-[2-[[5-(4-bromophenyl)furan-2-yl]methylamino]-2-oxoethyl]-3-nitrobenzamide
CID 24588464
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-chlorobenzamide
CID 9204124
N-[[5-(4-bromophenyl)furan-2-yl]methylcarbamothioyl]-3-ethoxybenzamide
CID 17334224
5-bromo-N-[[5-(4-bromophenyl)furan-2-yl]methyl]furan-2-carboxamide
CID 17335172
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-4-methoxy-3-nitrobenzamide
CID 17335216
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-fluorobenzamide
CID 9204118
N-[[5-(4-bromophenyl)furan-2-yl]methylcarbamothioyl]-3-butoxybenzamide
CID 17334275
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(2,4-dimethylphenoxy)acetamide
CID 9204148
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-(methoxymethyl)benzamide
CID 46674267
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-methoxynaphthalene-2-carboxamide
CID 17335195
N-(furan-2-ylmethyl)-3-methylbenzamide
CID 796307

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-methylbenzamide?
The IUPAC name of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-methylbenzamide (CID 9204101) is N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-methylbenzamide.
What is the SMILES notation for N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-methylbenzamide?
The canonical SMILES for N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-methylbenzamide is Cc1cccc(C(=O)NCc2ccc(-c3ccc(Br)cc3)o2)c1.
What is the InChIKey of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-methylbenzamide?
The InChIKey is ZMKFWAOHZWIBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrNO2/c1-13-3-2-4-15(11-13)19(22)21-12-17-9-10-18(23-17)14-5-7-16(20)8-6-14/h2-11H,12H2,1H3,(H,21,22).
What are the key properties of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-methylbenzamide?
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-methylbenzamide has a molecular weight of 370.25 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-methylbenzamide is sourced from PubChem (CID 9204101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).