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

C13H13ClN2O2 — CID 43526535

IUPAC4-amino-2-chloro-N-(furan-2-ylmethyl)-N-methylbenzamide
SMILESCN(Cc1ccco1)C(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C13H13ClN2O2/c1-16(8-10-3-2-6-18-10)13(17)11-5-4-9(15)7-12(11)14/h2-7H,8,15H2,1H3
InChIKeyVAEXZXVKNVXIGP-UHFFFAOYSA-N
MW264.71 g/mol
LogP2.79
Rot. Bonds3

About 4-amino-2-chloro-N-(furan-2-ylmethyl)-N-methylbenzamide

4-amino-2-chloro-N-(furan-2-ylmethyl)-N-methylbenzamide (PubChem CID 43526535) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 4-amino-2-chloro-N-(furan-2-ylmethyl)-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-(furan-2-ylmethyl)-N-methylbenzamide
PubChem CID43526535
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name4-amino-2-chloro-N-(furan-2-ylmethyl)-N-methylbenzamide
SMILESCN(Cc1ccco1)C(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C13H13ClN2O2/c1-16(8-10-3-2-6-18-10)13(17)11-5-4-9(15)7-12(11)14/h2-7H,8,15H2,1H3
InChIKeyVAEXZXVKNVXIGP-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

5-amino-2-chloro-N-(furan-2-ylmethyl)-N-methylpyridine-3-carboxamide
CID 114045921
2-amino-4-bromo-N-(furan-2-ylmethyl)-N-methylbenzamide
CID 79714273
2-amino-6-chloro-N-(furan-2-ylmethyl)-N-methylbenzamide
CID 55246430
4-amino-2-chloro-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 43527196
2-amino-N-(furan-2-ylmethyl)-N,5-dimethylbenzamide
CID 62072448
2-amino-N-(furan-2-ylmethyl)-4,5-dimethoxy-N-methylbenzamide
CID 43526528
2-amino-N-(furan-2-ylmethyl)-5-methoxy-N-methylbenzamide
CID 54878485
3-amino-N-(furan-2-ylmethyl)-5-iodo-N-methylbenzamide
CID 112750794
2-chloro-N-(furan-2-ylmethyl)-N-methylquinoline-4-carboxamide
CID 18290744
2,4-diamino-N-[(4-chlorophenyl)methyl]-N-methylbenzamide
CID 61118647
N-[(2-aminophenyl)methyl]-2-chloro-N,4-dimethylbenzamide
CID 106860369
N-(furan-2-ylmethyl)-1-hydroxy-N-methylnaphthalene-2-carboxamide
CID 43396704

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-(furan-2-ylmethyl)-N-methylbenzamide?
The IUPAC name of 4-amino-2-chloro-N-(furan-2-ylmethyl)-N-methylbenzamide (CID 43526535) is 4-amino-2-chloro-N-(furan-2-ylmethyl)-N-methylbenzamide.
What is the SMILES notation for 4-amino-2-chloro-N-(furan-2-ylmethyl)-N-methylbenzamide?
The canonical SMILES for 4-amino-2-chloro-N-(furan-2-ylmethyl)-N-methylbenzamide is CN(Cc1ccco1)C(=O)c1ccc(N)cc1Cl.
What is the InChIKey of 4-amino-2-chloro-N-(furan-2-ylmethyl)-N-methylbenzamide?
The InChIKey is VAEXZXVKNVXIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-16(8-10-3-2-6-18-10)13(17)11-5-4-9(15)7-12(11)14/h2-7H,8,15H2,1H3.
What are the key properties of 4-amino-2-chloro-N-(furan-2-ylmethyl)-N-methylbenzamide?
4-amino-2-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 4-amino-2-chloro-N-(furan-2-ylmethyl)-N-methylbenzamide is sourced from PubChem (CID 43526535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).