5-[[(3-chloro-4-methylphenyl)methylamino]methyl]furan-3-carboxamide

C14H15ClN2O2 — CID 119049704

IUPAC5-[[(3-chloro-4-methylphenyl)methylamino]methyl]furan-3-carboxamide
SMILESCc1ccc(CNCc2cc(C(N)=O)co2)cc1Cl
InChIInChI=1S/C14H15ClN2O2/c1-9-2-3-10(4-13(9)15)6-17-7-12-5-11(8-19-12)14(16)18/h2-5,8,17H,6-7H2,1H3,(H2,16,18)
InChIKeyQCROWYRYVKXSSM-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.63
Rot. Bonds5

About 5-[[(3-chloro-4-methylphenyl)methylamino]methyl]furan-3-carboxamide

5-[[(3-chloro-4-methylphenyl)methylamino]methyl]furan-3-carboxamide (PubChem CID 119049704) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 5-[[(3-chloro-4-methylphenyl)methylamino]methyl]furan-3-carboxamide.

Molecular Properties

Compound Name5-[[(3-chloro-4-methylphenyl)methylamino]methyl]furan-3-carboxamide
PubChem CID119049704
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name5-[[(3-chloro-4-methylphenyl)methylamino]methyl]furan-3-carboxamide
SMILESCc1ccc(CNCc2cc(C(N)=O)co2)cc1Cl
InChIInChI=1S/C14H15ClN2O2/c1-9-2-3-10(4-13(9)15)6-17-7-12-5-11(8-19-12)14(16)18/h2-5,8,17H,6-7H2,1H3,(H2,16,18)
InChIKeyQCROWYRYVKXSSM-UHFFFAOYSA-N
XLogP2.63
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-chloro-4-methylphenyl)methylamino]ethyl carbamate
CID 106817060
5-[(3-chloro-4-methylanilino)methyl]furan-3-carboxylic acid
CID 113432410
4-chloro-3-[(3-chloro-4-methylphenyl)methylamino]benzamide
CID 106816294
methyl 5-[[(4-chlorophenyl)methylamino]methyl]furan-3-carboxylate
CID 104585879
5-[[(4-bromophenyl)methylamino]methyl]furan-3-carboxylic acid
CID 104608030
1-[(3-chloro-4-methylphenyl)methylamino]-2-methylpropan-2-ol
CID 106816878
tert-butyl 2-[(3-chloro-4-methylphenyl)methylamino]acetate
CID 106817005
1-(4-bromophenyl)-N-[(3-chloro-4-methylphenyl)methyl]methanamine
CID 106816098
5-[[(3-fluorophenyl)methylamino]methyl]furan-3-carboxylic acid
CID 113432447
3-chloro-4-methylbenzamide;ethane
CID 162191867
N-[(3-chloro-4-methylphenyl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 106816117
5-[[(2-methoxy-4-pyridinyl)methylamino]methyl]furan-3-carboxylic acid
CID 104608919

Frequently Asked Questions

What is the IUPAC name of 5-[[(3-chloro-4-methylphenyl)methylamino]methyl]furan-3-carboxamide?
The IUPAC name of 5-[[(3-chloro-4-methylphenyl)methylamino]methyl]furan-3-carboxamide (CID 119049704) is 5-[[(3-chloro-4-methylphenyl)methylamino]methyl]furan-3-carboxamide.
What is the SMILES notation for 5-[[(3-chloro-4-methylphenyl)methylamino]methyl]furan-3-carboxamide?
The canonical SMILES for 5-[[(3-chloro-4-methylphenyl)methylamino]methyl]furan-3-carboxamide is Cc1ccc(CNCc2cc(C(N)=O)co2)cc1Cl.
What is the InChIKey of 5-[[(3-chloro-4-methylphenyl)methylamino]methyl]furan-3-carboxamide?
The InChIKey is QCROWYRYVKXSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-9-2-3-10(4-13(9)15)6-17-7-12-5-11(8-19-12)14(16)18/h2-5,8,17H,6-7H2,1H3,(H2,16,18).
What are the key properties of 5-[[(3-chloro-4-methylphenyl)methylamino]methyl]furan-3-carboxamide?
5-[[(3-chloro-4-methylphenyl)methylamino]methyl]furan-3-carboxamide has a molecular weight of 278.74 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3-chloro-4-methylphenyl)methylamino]methyl]furan-3-carboxamide is sourced from PubChem (CID 119049704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).