3-chloro-N-(5-oxo-2H-furan-3-yl)-4-propylbenzamide

C14H14ClNO3 — CID 54217620

IUPAC3-chloro-N-(5-oxo-2H-furan-3-yl)-4-propylbenzamide
SMILESCCCc1ccc(C(=O)NC2=CC(=O)OC2)cc1Cl
InChIInChI=1S/C14H14ClNO3/c1-2-3-9-4-5-10(6-12(9)15)14(18)16-11-7-13(17)19-8-11/h4-7H,2-3,8H2,1H3,(H,16,18)
InChIKeyQAIAUQFIVQRLCX-UHFFFAOYSA-N
MW279.72 g/mol
LogP2.46
Rot. Bonds4

About 3-chloro-N-(5-oxo-2H-furan-3-yl)-4-propylbenzamide

3-chloro-N-(5-oxo-2H-furan-3-yl)-4-propylbenzamide (PubChem CID 54217620) has the molecular formula C14H14ClNO3 and a molecular weight of 279.72 g/mol. Its IUPAC name is 3-chloro-N-(5-oxo-2H-furan-3-yl)-4-propylbenzamide.

Molecular Properties

Compound Name3-chloro-N-(5-oxo-2H-furan-3-yl)-4-propylbenzamide
PubChem CID54217620
Molecular FormulaC14H14ClNO3
Molecular Weight279.72 g/mol
Exact Mass279.07
IUPAC Name3-chloro-N-(5-oxo-2H-furan-3-yl)-4-propylbenzamide
SMILESCCCc1ccc(C(=O)NC2=CC(=O)OC2)cc1Cl
InChIInChI=1S/C14H14ClNO3/c1-2-3-9-4-5-10(6-12(9)15)14(18)16-11-7-13(17)19-8-11/h4-7H,2-3,8H2,1H3,(H,16,18)
InChIKeyQAIAUQFIVQRLCX-UHFFFAOYSA-N
XLogP2.46
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.72
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2E)-3-[(2-chlorobenzoyl)amino]-2-butenoate
CID 5310895
3-chloro-N-(5-oxo-2H-furan-3-yl)-4-(trifluoromethyl)benzamide
CID 54421762
(z)-Ethyl 3-(4-chlorobenzamido)but-2-enoate
CID 98075820
Allyl 2-[(2-chlorobenzoyl)amino]-3-phenylacrylate
CID 5733083
N-(5-acetyl-6-methyl-2-oxo-2H-pyran-3-yl)-3-chlorobenzenecarboxamide
CID 1483051
2-Butenoic acid, 3-[(4-chlorobenzoyl)amino]-, ethyl ester
CID 6017337
Ethyl 2-[(2-chlorobenzoyl)amino]-3-methylbut-2-enoate
CID 13689926
Ethyl 2-[(3-chlorobenzoyl)amino]-3-methylbut-2-enoate
CID 13689927
Ethyl 2-[(4-chlorobenzoyl)amino]-3-methylbut-2-enoate
CID 13689928
Ethyl 2-[(2,4-dichlorobenzoyl)amino]-3-methylbut-2-enoate
CID 13689931
Ethyl 2-[(3,5-dichlorobenzoyl)amino]-3-methylbut-2-enoate
CID 13689933
Ethyl 2-[(3-chloro-4-methylbenzoyl)amino]acetate
CID 18341004

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(5-oxo-2H-furan-3-yl)-4-propylbenzamide?
The IUPAC name of 3-chloro-N-(5-oxo-2H-furan-3-yl)-4-propylbenzamide (CID 54217620) is 3-chloro-N-(5-oxo-2H-furan-3-yl)-4-propylbenzamide.
What is the SMILES notation for 3-chloro-N-(5-oxo-2H-furan-3-yl)-4-propylbenzamide?
The canonical SMILES for 3-chloro-N-(5-oxo-2H-furan-3-yl)-4-propylbenzamide is CCCc1ccc(C(=O)NC2=CC(=O)OC2)cc1Cl.
What is the InChIKey of 3-chloro-N-(5-oxo-2H-furan-3-yl)-4-propylbenzamide?
The InChIKey is QAIAUQFIVQRLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO3/c1-2-3-9-4-5-10(6-12(9)15)14(18)16-11-7-13(17)19-8-11/h4-7H,2-3,8H2,1H3,(H,16,18).
What are the key properties of 3-chloro-N-(5-oxo-2H-furan-3-yl)-4-propylbenzamide?
3-chloro-N-(5-oxo-2H-furan-3-yl)-4-propylbenzamide has a molecular weight of 279.72 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(5-oxo-2H-furan-3-yl)-4-propylbenzamide is sourced from PubChem (CID 54217620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).