N-[(4-bromo-2-fluorophenyl)-phenylmethyl]furan-2-carboxamide

C18H13BrFNO2 — CID 55857773

IUPACN-[(4-bromo-2-fluorophenyl)-phenylmethyl]furan-2-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccc(Br)cc1F)c1ccco1
InChIInChI=1S/C18H13BrFNO2/c19-13-8-9-14(15(20)11-13)17(12-5-2-1-3-6-12)21-18(22)16-7-4-10-23-16/h1-11,17H,(H,21,22)
InChIKeyGTGYMXCJHXQPOV-UHFFFAOYSA-N
MW374.21 g/mol
LogP4.70
Rot. Bonds4

About N-[(4-bromo-2-fluorophenyl)-phenylmethyl]furan-2-carboxamide

N-[(4-bromo-2-fluorophenyl)-phenylmethyl]furan-2-carboxamide (PubChem CID 55857773) has the molecular formula C18H13BrFNO2 and a molecular weight of 374.21 g/mol. Its IUPAC name is N-[(4-bromo-2-fluorophenyl)-phenylmethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(4-bromo-2-fluorophenyl)-phenylmethyl]furan-2-carboxamide
PubChem CID55857773
Molecular FormulaC18H13BrFNO2
Molecular Weight374.21 g/mol
Exact Mass373.01
IUPAC NameN-[(4-bromo-2-fluorophenyl)-phenylmethyl]furan-2-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccc(Br)cc1F)c1ccco1
InChIInChI=1S/C18H13BrFNO2/c19-13-8-9-14(15(20)11-13)17(12-5-2-1-3-6-12)21-18(22)16-7-4-10-23-16/h1-11,17H,(H,21,22)
InChIKeyGTGYMXCJHXQPOV-UHFFFAOYSA-N
XLogP4.70
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.21
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[[(S)-(4-bromo-2-fluorophenyl)-phenylmethyl]amino]-4-oxobutyl]furan-2-carboxamide
CID 51965230
N-[(R)-(4-bromo-2-fluorophenyl)-phenylmethyl]-6-methylpyridine-3-carboxamide
CID 52688316
4-amino-N-[(4-bromo-2-fluorophenyl)-phenylmethyl]pentanamide
CID 120560847
N-[(4-bromo-2-fluorophenyl)-phenylmethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119738549
N-[(4-bromo-2-fluorophenyl)-phenylmethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 55856735
N-[3-[[(4-bromo-2-fluorophenyl)-phenylmethyl]amino]-3-oxopropyl]-2-methylbenzamide
CID 60523190
N-[(4-bromo-2-fluorophenyl)-phenylmethyl]-3-(phenylcarbamoylamino)propanamide
CID 55990369
1-(4-bromo-2-fluorophenyl)-3-(furan-2-yl)propane-1,3-dione
CID 82966938
(3S)-3-(furan-2-carbonylamino)-3-phenylpropanoate
CID 6942649
N-[1-(4-bromophenyl)ethyl]furan-2-carboxamide
CID 2919180
N-[(S)-(4-bromo-2-fluorophenyl)-phenylmethyl]-2-(tetrazol-1-yl)acetamide
CID 52724876
N-(1,1-diphenylpropan-2-yl)furan-2-carboxamide
CID 46432017

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-fluorophenyl)-phenylmethyl]furan-2-carboxamide?
The IUPAC name of N-[(4-bromo-2-fluorophenyl)-phenylmethyl]furan-2-carboxamide (CID 55857773) is N-[(4-bromo-2-fluorophenyl)-phenylmethyl]furan-2-carboxamide.
What is the SMILES notation for N-[(4-bromo-2-fluorophenyl)-phenylmethyl]furan-2-carboxamide?
The canonical SMILES for N-[(4-bromo-2-fluorophenyl)-phenylmethyl]furan-2-carboxamide is O=C(NC(c1ccccc1)c1ccc(Br)cc1F)c1ccco1.
What is the InChIKey of N-[(4-bromo-2-fluorophenyl)-phenylmethyl]furan-2-carboxamide?
The InChIKey is GTGYMXCJHXQPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrFNO2/c19-13-8-9-14(15(20)11-13)17(12-5-2-1-3-6-12)21-18(22)16-7-4-10-23-16/h1-11,17H,(H,21,22).
What are the key properties of N-[(4-bromo-2-fluorophenyl)-phenylmethyl]furan-2-carboxamide?
N-[(4-bromo-2-fluorophenyl)-phenylmethyl]furan-2-carboxamide has a molecular weight of 374.21 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-fluorophenyl)-phenylmethyl]furan-2-carboxamide is sourced from PubChem (CID 55857773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).