3-[3-(cyclopropylamino)propanoylamino]-5-fluoro-4-methylbenzamide

C14H18FN3O2 — CID 60868211

IUPAC3-[3-(cyclopropylamino)propanoylamino]-5-fluoro-4-methylbenzamide
SMILESCc1c(F)cc(C(N)=O)cc1NC(=O)CCNC1CC1
InChIInChI=1S/C14H18FN3O2/c1-8-11(15)6-9(14(16)20)7-12(8)18-13(19)4-5-17-10-2-3-10/h6-7,10,17H,2-5H2,1H3,(H2,16,20)(H,18,19)
InChIKeyNVMJXOCPQGPDKV-UHFFFAOYSA-N
MW279.31 g/mol
LogP1.31
Rot. Bonds6

About 3-[3-(cyclopropylamino)propanoylamino]-5-fluoro-4-methylbenzamide

3-[3-(cyclopropylamino)propanoylamino]-5-fluoro-4-methylbenzamide (PubChem CID 60868211) has the molecular formula C14H18FN3O2 and a molecular weight of 279.31 g/mol. Its IUPAC name is 3-[3-(cyclopropylamino)propanoylamino]-5-fluoro-4-methylbenzamide.

Molecular Properties

Compound Name3-[3-(cyclopropylamino)propanoylamino]-5-fluoro-4-methylbenzamide
PubChem CID60868211
Molecular FormulaC14H18FN3O2
Molecular Weight279.31 g/mol
Exact Mass279.14
IUPAC Name3-[3-(cyclopropylamino)propanoylamino]-5-fluoro-4-methylbenzamide
SMILESCc1c(F)cc(C(N)=O)cc1NC(=O)CCNC1CC1
InChIInChI=1S/C14H18FN3O2/c1-8-11(15)6-9(14(16)20)7-12(8)18-13(19)4-5-17-10-2-3-10/h6-7,10,17H,2-5H2,1H3,(H2,16,20)(H,18,19)
InChIKeyNVMJXOCPQGPDKV-UHFFFAOYSA-N
XLogP1.31
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(cyclopropylamino)acetyl]amino]-5-fluoro-4-methylbenzamide
CID 54924427
N-(5-cyano-3-fluoro-2-methylphenyl)-3-(cyclopropylamino)propanamide
CID 54925369
5-(5-carbamoyl-3-fluoro-2-methylanilino)-5-oxopentanoic acid
CID 60940811
3-(7-aminoheptanoylamino)-5-fluoro-4-methylbenzamide
CID 43713943
3-(cyclopentylamino)-5-fluoro-4-methylbenzamide
CID 43735724
3-[3-(cyclopropylamino)propanoylamino]-4-methylbenzoic acid
CID 60867475
3-[[2-(cyclopropylamino)acetyl]amino]-4-fluorobenzamide
CID 60841451
3-[(3-aminocyclopentyl)amino]-5-fluoro-4-methylbenzamide
CID 79462509
3-[[2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetyl]amino]-5-fluoro-4-methylbenzamide
CID 55732741
3-(cyclopentylmethylamino)-5-fluoro-4-methylbenzamide
CID 62070875
3-(cyclopropylamino)-N-(3,4,5-trifluorophenyl)propanamide
CID 62813705
3-(cyclopropylamino)-N-(2,6-difluoro-3-methylphenyl)propanamide
CID 82818657

Frequently Asked Questions

What is the IUPAC name of 3-[3-(cyclopropylamino)propanoylamino]-5-fluoro-4-methylbenzamide?
The IUPAC name of 3-[3-(cyclopropylamino)propanoylamino]-5-fluoro-4-methylbenzamide (CID 60868211) is 3-[3-(cyclopropylamino)propanoylamino]-5-fluoro-4-methylbenzamide.
What is the SMILES notation for 3-[3-(cyclopropylamino)propanoylamino]-5-fluoro-4-methylbenzamide?
The canonical SMILES for 3-[3-(cyclopropylamino)propanoylamino]-5-fluoro-4-methylbenzamide is Cc1c(F)cc(C(N)=O)cc1NC(=O)CCNC1CC1.
What is the InChIKey of 3-[3-(cyclopropylamino)propanoylamino]-5-fluoro-4-methylbenzamide?
The InChIKey is NVMJXOCPQGPDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2/c1-8-11(15)6-9(14(16)20)7-12(8)18-13(19)4-5-17-10-2-3-10/h6-7,10,17H,2-5H2,1H3,(H2,16,20)(H,18,19).
What are the key properties of 3-[3-(cyclopropylamino)propanoylamino]-5-fluoro-4-methylbenzamide?
3-[3-(cyclopropylamino)propanoylamino]-5-fluoro-4-methylbenzamide has a molecular weight of 279.31 g/mol, XLogP of 1.31, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(cyclopropylamino)propanoylamino]-5-fluoro-4-methylbenzamide is sourced from PubChem (CID 60868211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).