2-[(5-bromofuran-2-yl)methylamino]-4-chloro-N,N-dimethylbenzamide

C14H14BrClN2O2 — CID 43737640

IUPAC2-[(5-bromofuran-2-yl)methylamino]-4-chloro-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(Cl)cc1NCc1ccc(Br)o1
InChIInChI=1S/C14H14BrClN2O2/c1-18(2)14(19)11-5-3-9(16)7-12(11)17-8-10-4-6-13(15)20-10/h3-7,17H,8H2,1-2H3
InChIKeyZBQYWVGEEXOIEZ-UHFFFAOYSA-N
MW357.64 g/mol
LogP4.01
Rot. Bonds4

About 2-[(5-bromofuran-2-yl)methylamino]-4-chloro-N,N-dimethylbenzamide

2-[(5-bromofuran-2-yl)methylamino]-4-chloro-N,N-dimethylbenzamide (PubChem CID 43737640) has the molecular formula C14H14BrClN2O2 and a molecular weight of 357.64 g/mol. Its IUPAC name is 2-[(5-bromofuran-2-yl)methylamino]-4-chloro-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-[(5-bromofuran-2-yl)methylamino]-4-chloro-N,N-dimethylbenzamide
PubChem CID43737640
Molecular FormulaC14H14BrClN2O2
Molecular Weight357.64 g/mol
Exact Mass355.99
IUPAC Name2-[(5-bromofuran-2-yl)methylamino]-4-chloro-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(Cl)cc1NCc1ccc(Br)o1
InChIInChI=1S/C14H14BrClN2O2/c1-18(2)14(19)11-5-3-9(16)7-12(11)17-8-10-4-6-13(15)20-10/h3-7,17H,8H2,1-2H3
InChIKeyZBQYWVGEEXOIEZ-UHFFFAOYSA-N
XLogP4.01
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.64
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-aminophenyl)methylamino]-4-chloro-N,N-dimethylbenzamide
CID 66419013
4-chloro-2-[(2-chlorophenyl)methylamino]-N,N-dimethylbenzamide
CID 43737609
4-chloro-N,N-dimethyl-2-(1,3-thiazol-5-ylmethylamino)benzamide
CID 62758513
N-[(5-bromofuran-2-yl)methyl]-4-chloro-2-fluoroaniline
CID 43716493
4-[(5-bromofuran-2-yl)methylamino]-N,N-dimethylbenzamide
CID 43681973
methyl 4-chloro-2-[(5-chlorofuran-2-yl)methylamino]benzoate
CID 60780204
4-chloro-2-[(2-ethylpyrazol-3-yl)methylamino]-N,N-dimethylbenzamide
CID 114555357
4-chloro-2-(cyclohexylmethylamino)-N,N-dimethylbenzamide
CID 43737639
4-chloro-N,N-dimethyl-2-(thiadiazol-4-ylmethylamino)benzamide
CID 43737681
2-[(2-tert-butyl-1,3-oxazol-4-yl)methylamino]-4-chloro-N,N-dimethylbenzamide
CID 154782107
4-chloro-2-(2,2-dimethoxyethylamino)-N,N-dimethylbenzamide
CID 55234275
methyl 4-chloro-2-[(5-iodofuran-2-yl)methylamino]benzoate
CID 43780351

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromofuran-2-yl)methylamino]-4-chloro-N,N-dimethylbenzamide?
The IUPAC name of 2-[(5-bromofuran-2-yl)methylamino]-4-chloro-N,N-dimethylbenzamide (CID 43737640) is 2-[(5-bromofuran-2-yl)methylamino]-4-chloro-N,N-dimethylbenzamide.
What is the SMILES notation for 2-[(5-bromofuran-2-yl)methylamino]-4-chloro-N,N-dimethylbenzamide?
The canonical SMILES for 2-[(5-bromofuran-2-yl)methylamino]-4-chloro-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(Cl)cc1NCc1ccc(Br)o1.
What is the InChIKey of 2-[(5-bromofuran-2-yl)methylamino]-4-chloro-N,N-dimethylbenzamide?
The InChIKey is ZBQYWVGEEXOIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN2O2/c1-18(2)14(19)11-5-3-9(16)7-12(11)17-8-10-4-6-13(15)20-10/h3-7,17H,8H2,1-2H3.
What are the key properties of 2-[(5-bromofuran-2-yl)methylamino]-4-chloro-N,N-dimethylbenzamide?
2-[(5-bromofuran-2-yl)methylamino]-4-chloro-N,N-dimethylbenzamide has a molecular weight of 357.64 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromofuran-2-yl)methylamino]-4-chloro-N,N-dimethylbenzamide is sourced from PubChem (CID 43737640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).