4-chloro-N-[3-[4-(furan-2-yl)butan-2-ylamino]-3-oxopropyl]benzamide

C18H21ClN2O3 — CID 18162412

IUPAC4-chloro-N-[3-[4-(furan-2-yl)butan-2-ylamino]-3-oxopropyl]benzamide
SMILESCC(CCc1ccco1)NC(=O)CCNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H21ClN2O3/c1-13(4-9-16-3-2-12-24-16)21-17(22)10-11-20-18(23)14-5-7-15(19)8-6-14/h2-3,5-8,12-13H,4,9-11H2,1H3,(H,20,23)(H,21,22)
InChIKeyFTMFHKYXBHNDIT-UHFFFAOYSA-N
MW348.83 g/mol
LogP3.19
Rot. Bonds8

About 4-chloro-N-[3-[4-(furan-2-yl)butan-2-ylamino]-3-oxopropyl]benzamide

4-chloro-N-[3-[4-(furan-2-yl)butan-2-ylamino]-3-oxopropyl]benzamide (PubChem CID 18162412) has the molecular formula C18H21ClN2O3 and a molecular weight of 348.83 g/mol. Its IUPAC name is 4-chloro-N-[3-[4-(furan-2-yl)butan-2-ylamino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-[4-(furan-2-yl)butan-2-ylamino]-3-oxopropyl]benzamide
PubChem CID18162412
Molecular FormulaC18H21ClN2O3
Molecular Weight348.83 g/mol
Exact Mass348.12
IUPAC Name4-chloro-N-[3-[4-(furan-2-yl)butan-2-ylamino]-3-oxopropyl]benzamide
SMILESCC(CCc1ccco1)NC(=O)CCNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H21ClN2O3/c1-13(4-9-16-3-2-12-24-16)21-17(22)10-11-20-18(23)14-5-7-15(19)8-6-14/h2-3,5-8,12-13H,4,9-11H2,1H3,(H,20,23)(H,21,22)
InChIKeyFTMFHKYXBHNDIT-UHFFFAOYSA-N
XLogP3.19
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[3-[[(2R)-5-methylhexan-2-yl]amino]-3-oxopropyl]benzamide
CID 26519163
N-[4-(furan-2-yl)butan-2-yl]-4-(propan-2-ylamino)butanamide
CID 61249924
5-amino-N-[4-(furan-2-yl)butan-2-yl]-4-methylpentanamide
CID 82012267
N-[4-(furan-2-yl)butan-2-yl]-3-oxobutanamide
CID 61251024
N-[4-(furan-2-yl)butan-2-yl]-2-(methylamino)acetamide
CID 61249906
N-[(2R)-4-(furan-2-yl)butan-2-yl]-3-methylbutanamide
CID 94153264
2-(2,5-dichlorophenyl)sulfanyl-N-[4-(furan-2-yl)butan-2-yl]acetamide
CID 55364221
2,3-difluoro-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 62661107
4-(bromomethyl)-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 102851452
4-cyano-N-[(2S)-4-(furan-2-yl)butan-2-yl]benzamide
CID 9141737
4-[(carbamoylamino)methyl]-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 47010072
3-bromo-4-chloro-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 107999462

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-[4-(furan-2-yl)butan-2-ylamino]-3-oxopropyl]benzamide?
The IUPAC name of 4-chloro-N-[3-[4-(furan-2-yl)butan-2-ylamino]-3-oxopropyl]benzamide (CID 18162412) is 4-chloro-N-[3-[4-(furan-2-yl)butan-2-ylamino]-3-oxopropyl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-[4-(furan-2-yl)butan-2-ylamino]-3-oxopropyl]benzamide?
The canonical SMILES for 4-chloro-N-[3-[4-(furan-2-yl)butan-2-ylamino]-3-oxopropyl]benzamide is CC(CCc1ccco1)NC(=O)CCNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[3-[4-(furan-2-yl)butan-2-ylamino]-3-oxopropyl]benzamide?
The InChIKey is FTMFHKYXBHNDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3/c1-13(4-9-16-3-2-12-24-16)21-17(22)10-11-20-18(23)14-5-7-15(19)8-6-14/h2-3,5-8,12-13H,4,9-11H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 4-chloro-N-[3-[4-(furan-2-yl)butan-2-ylamino]-3-oxopropyl]benzamide?
4-chloro-N-[3-[4-(furan-2-yl)butan-2-ylamino]-3-oxopropyl]benzamide has a molecular weight of 348.83 g/mol, XLogP of 3.19, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-[4-(furan-2-yl)butan-2-ylamino]-3-oxopropyl]benzamide is sourced from PubChem (CID 18162412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).