4-chloro-3-[1-(furan-2-yl)propylamino]-N,N-dimethylbenzamide

C16H19ClN2O2 — CID 62633081

IUPAC4-chloro-3-[1-(furan-2-yl)propylamino]-N,N-dimethylbenzamide
SMILESCCC(Nc1cc(C(=O)N(C)C)ccc1Cl)c1ccco1
InChIInChI=1S/C16H19ClN2O2/c1-4-13(15-6-5-9-21-15)18-14-10-11(7-8-12(14)17)16(20)19(2)3/h5-10,13,18H,4H2,1-3H3
InChIKeyCLFDMMQFJJOQAP-UHFFFAOYSA-N
MW306.79 g/mol
LogP4.20
Rot. Bonds5

About 4-chloro-3-[1-(furan-2-yl)propylamino]-N,N-dimethylbenzamide

4-chloro-3-[1-(furan-2-yl)propylamino]-N,N-dimethylbenzamide (PubChem CID 62633081) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is 4-chloro-3-[1-(furan-2-yl)propylamino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-chloro-3-[1-(furan-2-yl)propylamino]-N,N-dimethylbenzamide
PubChem CID62633081
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Name4-chloro-3-[1-(furan-2-yl)propylamino]-N,N-dimethylbenzamide
SMILESCCC(Nc1cc(C(=O)N(C)C)ccc1Cl)c1ccco1
InChIInChI=1S/C16H19ClN2O2/c1-4-13(15-6-5-9-21-15)18-14-10-11(7-8-12(14)17)16(20)19(2)3/h5-10,13,18H,4H2,1-3H3
InChIKeyCLFDMMQFJJOQAP-UHFFFAOYSA-N
XLogP4.20
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N,N-dimethyl-3-(pentan-3-ylamino)benzamide
CID 43738776
4-chloro-2-fluoro-N-[1-(furan-2-yl)propyl]aniline
CID 62632711
4-chloro-N,N-dimethyl-3-(pentylamino)benzamide
CID 43738706
4-chloro-3-[1-(2-fluorophenyl)propylamino]benzamide
CID 115994237
2-[1-(furan-2-yl)propylamino]ethylurea
CID 83109971
3-[[2-[[(1S)-1-(furan-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
CID 58736186
2-[2-[1-(furan-2-yl)propylamino]phenyl]acetamide
CID 62632896
3-[1-(3-bromothiophen-2-yl)ethylamino]-4-chloro-N,N-dimethylbenzamide
CID 43789676
4-chloro-N,N-dimethyl-3-[[2-(methylamino)acetyl]amino]benzamide
CID 43697266
2-[(dimethylamino)methyl]-N-[1-(furan-2-yl)propyl]aniline
CID 62631645
5-bromo-2-chloro-N-[1-(furan-2-yl)propyl]pyridin-3-amine
CID 114051949
4-chloro-3-[[2-(2-chlorophenyl)acetyl]amino]-N,N-dimethylbenzamide
CID 38957066

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[1-(furan-2-yl)propylamino]-N,N-dimethylbenzamide?
The IUPAC name of 4-chloro-3-[1-(furan-2-yl)propylamino]-N,N-dimethylbenzamide (CID 62633081) is 4-chloro-3-[1-(furan-2-yl)propylamino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-chloro-3-[1-(furan-2-yl)propylamino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-chloro-3-[1-(furan-2-yl)propylamino]-N,N-dimethylbenzamide is CCC(Nc1cc(C(=O)N(C)C)ccc1Cl)c1ccco1.
What is the InChIKey of 4-chloro-3-[1-(furan-2-yl)propylamino]-N,N-dimethylbenzamide?
The InChIKey is CLFDMMQFJJOQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c1-4-13(15-6-5-9-21-15)18-14-10-11(7-8-12(14)17)16(20)19(2)3/h5-10,13,18H,4H2,1-3H3.
What are the key properties of 4-chloro-3-[1-(furan-2-yl)propylamino]-N,N-dimethylbenzamide?
4-chloro-3-[1-(furan-2-yl)propylamino]-N,N-dimethylbenzamide has a molecular weight of 306.79 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[1-(furan-2-yl)propylamino]-N,N-dimethylbenzamide is sourced from PubChem (CID 62633081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).