2-amino-6-chloro-N-(furan-2-ylmethyl)-N-methylbenzamide

C13H13ClN2O2 — CID 55246430

IUPAC2-amino-6-chloro-N-(furan-2-ylmethyl)-N-methylbenzamide
SMILESCN(Cc1ccco1)C(=O)c1c(N)cccc1Cl
InChIInChI=1S/C13H13ClN2O2/c1-16(8-9-4-3-7-18-9)13(17)12-10(14)5-2-6-11(12)15/h2-7H,8,15H2,1H3
InChIKeyBYDNKJMVCIXCQZ-UHFFFAOYSA-N
MW264.71 g/mol
LogP2.79
Rot. Bonds3

About 2-amino-6-chloro-N-(furan-2-ylmethyl)-N-methylbenzamide

2-amino-6-chloro-N-(furan-2-ylmethyl)-N-methylbenzamide (PubChem CID 55246430) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 2-amino-6-chloro-N-(furan-2-ylmethyl)-N-methylbenzamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-(furan-2-ylmethyl)-N-methylbenzamide
PubChem CID55246430
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name2-amino-6-chloro-N-(furan-2-ylmethyl)-N-methylbenzamide
SMILESCN(Cc1ccco1)C(=O)c1c(N)cccc1Cl
InChIInChI=1S/C13H13ClN2O2/c1-16(8-9-4-3-7-18-9)13(17)12-10(14)5-2-6-11(12)15/h2-7H,8,15H2,1H3
InChIKeyBYDNKJMVCIXCQZ-UHFFFAOYSA-N
XLogP2.79
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-2-chloro-N-(furan-2-ylmethyl)-N-methylbenzamide
CID 43526535
N-[(2-aminophenyl)methyl]-2,6-dichloro-N-methylbenzamide
CID 43458410
2-amino-6-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide
CID 63660537
2-chloro-6-[[furan-2-ylmethyl(methyl)carbamoyl]amino]benzoic acid
CID 63724318
2-amino-6-chloro-N-(cyclopropylmethyl)-N-methylbenzamide
CID 63658050
3-(2,3-dichlorophenyl)-1-(furan-2-ylmethyl)-1-methylurea
CID 5004523
2-amino-6-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 63659531
5-amino-2-chloro-N-(furan-2-ylmethyl)-N-methylpyridine-3-carboxamide
CID 114045921
2-amino-N-(furan-2-ylmethyl)-N,5-dimethylbenzamide
CID 62072448
3-(2-chloro-6-methylphenyl)-1-(furan-2-ylmethyl)-1-methylurea
CID 74227068
2-amino-4-bromo-N-(furan-2-ylmethyl)-N-methylbenzamide
CID 79714273
2-amino-N-(furan-2-ylmethyl)-4,5-dimethoxy-N-methylbenzamide
CID 43526528

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-(furan-2-ylmethyl)-N-methylbenzamide?
The IUPAC name of 2-amino-6-chloro-N-(furan-2-ylmethyl)-N-methylbenzamide (CID 55246430) is 2-amino-6-chloro-N-(furan-2-ylmethyl)-N-methylbenzamide.
What is the SMILES notation for 2-amino-6-chloro-N-(furan-2-ylmethyl)-N-methylbenzamide?
The canonical SMILES for 2-amino-6-chloro-N-(furan-2-ylmethyl)-N-methylbenzamide is CN(Cc1ccco1)C(=O)c1c(N)cccc1Cl.
What is the InChIKey of 2-amino-6-chloro-N-(furan-2-ylmethyl)-N-methylbenzamide?
The InChIKey is BYDNKJMVCIXCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-16(8-9-4-3-7-18-9)13(17)12-10(14)5-2-6-11(12)15/h2-7H,8,15H2,1H3.
What are the key properties of 2-amino-6-chloro-N-(furan-2-ylmethyl)-N-methylbenzamide?
2-amino-6-chloro-N-(furan-2-ylmethyl)-N-methylbenzamide has a molecular weight of 264.71 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-(furan-2-ylmethyl)-N-methylbenzamide is sourced from PubChem (CID 55246430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).