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

C19H15BrClNO3 — CID 18271169

IUPACN-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-chloro-4-hydroxy-N-methylbenzamide
SMILESCN(Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)c1ccc(O)c(Cl)c1
InChIInChI=1S/C19H15BrClNO3/c1-22(19(24)13-4-8-17(23)16(21)10-13)11-15-7-9-18(25-15)12-2-5-14(20)6-3-12/h2-10,23H,11H2,1H3
InChIKeyLXUNPCLVBGGOEJ-UHFFFAOYSA-N
MW420.69 g/mol
LogP5.34
Rot. Bonds4

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

N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-chloro-4-hydroxy-N-methylbenzamide (PubChem CID 18271169) has the molecular formula C19H15BrClNO3 and a molecular weight of 420.69 g/mol. Its IUPAC name is N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-chloro-4-hydroxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-chloro-4-hydroxy-N-methylbenzamide
PubChem CID18271169
Molecular FormulaC19H15BrClNO3
Molecular Weight420.69 g/mol
Exact Mass418.99
IUPAC NameN-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-chloro-4-hydroxy-N-methylbenzamide
SMILESCN(Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)c1ccc(O)c(Cl)c1
InChIInChI=1S/C19H15BrClNO3/c1-22(19(24)13-4-8-17(23)16(21)10-13)11-15-7-9-18(25-15)12-2-5-14(20)6-3-12/h2-10,23H,11H2,1H3
InChIKeyLXUNPCLVBGGOEJ-UHFFFAOYSA-N
XLogP5.34
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.69
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(4-bromophenyl)furan-2-yl]methyl]-4-(methoxymethyl)-N-methylbenzamide
CID 9107485
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-(difluoromethoxy)-N-methylbenzamide
CID 18229282
N-[(4-bromophenyl)methyl]-3,4-dichloro-N-methylbenzamide
CID 60628401
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 31286349
3-chloro-4-hydroxy-N-methyl-N-propylbenzamide
CID 43271538
2-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]acetic acid
CID 43386061
4-amino-N-[(5-bromofuran-2-yl)methyl]-3,5-dichloro-N-methylbenzamide
CID 82794027
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-1-ethyl-N-methylbenzotriazole-5-carboxamide
CID 9203744
methyl 5-[[(3-chloro-4-hydroxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 31710740
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 27852892
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-N-methyl-2-thiophen-2-ylacetamide
CID 9107441
N-[(5-bromo-2-hydroxyphenyl)methyl]-4-(furan-2-yl)-N-methylbenzamide
CID 121269393

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-chloro-4-hydroxy-N-methylbenzamide?
The IUPAC name of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-chloro-4-hydroxy-N-methylbenzamide (CID 18271169) is N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-chloro-4-hydroxy-N-methylbenzamide.
What is the SMILES notation for N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-chloro-4-hydroxy-N-methylbenzamide?
The canonical SMILES for N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-chloro-4-hydroxy-N-methylbenzamide is CN(Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)c1ccc(O)c(Cl)c1.
What is the InChIKey of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-chloro-4-hydroxy-N-methylbenzamide?
The InChIKey is LXUNPCLVBGGOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrClNO3/c1-22(19(24)13-4-8-17(23)16(21)10-13)11-15-7-9-18(25-15)12-2-5-14(20)6-3-12/h2-10,23H,11H2,1H3.
What are the key properties of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-chloro-4-hydroxy-N-methylbenzamide?
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-chloro-4-hydroxy-N-methylbenzamide has a molecular weight of 420.69 g/mol, XLogP of 5.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-chloro-4-hydroxy-N-methylbenzamide is sourced from PubChem (CID 18271169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).