N-(4-chlorophenyl)-N-[(4-nitrophenyl)methyl]furan-2-carboxamide

C18H13ClN2O4 — CID 1117372

IUPACN-(4-chlorophenyl)-N-[(4-nitrophenyl)methyl]furan-2-carboxamide
SMILESO=C(c1ccco1)N(Cc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H13ClN2O4/c19-14-5-9-15(10-6-14)20(18(22)17-2-1-11-25-17)12-13-3-7-16(8-4-13)21(23)24/h1-11H,12H2
InChIKeyZUHOURBGNLTGOZ-UHFFFAOYSA-N
MW356.77 g/mol
LogP4.69
Rot. Bonds5

About N-(4-chlorophenyl)-N-[(4-nitrophenyl)methyl]furan-2-carboxamide

N-(4-chlorophenyl)-N-[(4-nitrophenyl)methyl]furan-2-carboxamide (PubChem CID 1117372) has the molecular formula C18H13ClN2O4 and a molecular weight of 356.77 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-[(4-nitrophenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-[(4-nitrophenyl)methyl]furan-2-carboxamide
PubChem CID1117372
Molecular FormulaC18H13ClN2O4
Molecular Weight356.77 g/mol
Exact Mass356.06
IUPAC NameN-(4-chlorophenyl)-N-[(4-nitrophenyl)methyl]furan-2-carboxamide
SMILESO=C(c1ccco1)N(Cc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H13ClN2O4/c19-14-5-9-15(10-6-14)20(18(22)17-2-1-11-25-17)12-13-3-7-16(8-4-13)21(23)24/h1-11H,12H2
InChIKeyZUHOURBGNLTGOZ-UHFFFAOYSA-N
XLogP4.69
TPSA76.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.77
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]furan-2-carboxamide
CID 46045761
2,4-dichloro-N-[(3-nitrophenyl)methyl]-N-phenylbenzamide
CID 19164974
(4-nitrophenyl)methyl furan-2-carboxylate
CID 930641
N-benzyl-N-(4-chlorophenyl)carbamate
CID 57352330
1-(4-chlorophenyl)-1-(4-nitrophenyl)urea
CID 141454389
(2-chloro-4-nitrophenyl)-(furan-2-yl)methanone
CID 18967626
N-benzyl-2-[benzyl(methyl)amino]-N-(4-nitrophenyl)acetamide
CID 23507484
N-benzyl-4-chloro-N-phenylbenzamide
CID 20787883
2-[(4-methoxyphenyl)-[(4-nitrophenyl)methyl]carbamoyl]benzoic acid
CID 23850978
N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 46045640
N-(2-aminoethyl)-N-(4-ethylphenyl)furan-2-carboxamide
CID 28770064
N-[(4-chlorophenyl)methyl]-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-nitrophenyl)acetamide
CID 3128688

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N-[(4-nitrophenyl)methyl]furan-2-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-N-[(4-nitrophenyl)methyl]furan-2-carboxamide (CID 1117372) is N-(4-chlorophenyl)-N-[(4-nitrophenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-N-[(4-nitrophenyl)methyl]furan-2-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-N-[(4-nitrophenyl)methyl]furan-2-carboxamide is O=C(c1ccco1)N(Cc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-N-[(4-nitrophenyl)methyl]furan-2-carboxamide?
The InChIKey is ZUHOURBGNLTGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O4/c19-14-5-9-15(10-6-14)20(18(22)17-2-1-11-25-17)12-13-3-7-16(8-4-13)21(23)24/h1-11H,12H2.
What are the key properties of N-(4-chlorophenyl)-N-[(4-nitrophenyl)methyl]furan-2-carboxamide?
N-(4-chlorophenyl)-N-[(4-nitrophenyl)methyl]furan-2-carboxamide has a molecular weight of 356.77 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-[(4-nitrophenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 1117372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).