5-fluoro-2-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide

C18H24FN3O3 — CID 124839611

IUPAC5-fluoro-2-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
SMILESCCCNC(=O)[C@H](C)NC(=O)c1cc(F)ccc1NC(=O)[C@@H]1C[C@H]1C
InChIInChI=1S/C18H24FN3O3/c1-4-7-20-16(23)11(3)21-18(25)14-9-12(19)5-6-15(14)22-17(24)13-8-10(13)2/h5-6,9-11,13H,4,7-8H2,1-3H3,(H,20,23)(H,21,25)(H,22,24)/t10-,11+,13-/m1/s1
InChIKeyMQLMFTQTFCJMJC-NTZNESFSSA-N
MW349.41 g/mol
LogP2.06
Rot. Bonds7

About 5-fluoro-2-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide

5-fluoro-2-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide (PubChem CID 124839611) has the molecular formula C18H24FN3O3 and a molecular weight of 349.41 g/mol. Its IUPAC name is 5-fluoro-2-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide.

Molecular Properties

Compound Name5-fluoro-2-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
PubChem CID124839611
Molecular FormulaC18H24FN3O3
Molecular Weight349.41 g/mol
Exact Mass349.18
IUPAC Name5-fluoro-2-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
SMILESCCCNC(=O)[C@H](C)NC(=O)c1cc(F)ccc1NC(=O)[C@@H]1C[C@H]1C
InChIInChI=1S/C18H24FN3O3/c1-4-7-20-16(23)11(3)21-18(25)14-9-12(19)5-6-15(14)22-17(24)13-8-10(13)2/h5-6,9-11,13H,4,7-8H2,1-3H3,(H,20,23)(H,21,25)(H,22,24)/t10-,11+,13-/m1/s1
InChIKeyMQLMFTQTFCJMJC-NTZNESFSSA-N
XLogP2.06
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-difluoro-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 8733040
5-fluoro-N-[(1-hydroxycyclobutyl)methyl]-2-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 111539616
5-fluoro-2-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 94646964
2-bromo-4-fluoro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 51206303
5-fluoro-2-nitro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 61041542
2-[(2-methylcyclopropanecarbonyl)amino]-N-propylbenzamide
CID 47097713
N-[3-(N-ethylanilino)propyl]-5-fluoro-2-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 124838994
5-fluoro-N-(2-hydroxyethyl)-N-methyl-2-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 110907395
5-fluoro-2-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 124738471
(2R)-2-[(2-chloro-4-fluorophenyl)carbamoylamino]-N-propylpropanamide
CID 51981491
N-(1,4-dioxan-2-ylmethyl)-5-fluoro-2-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 71938305
cis-(1R,2S)-N-(5-fluoro-2-methylphenyl)-2-methylcyclopropane-1-carboxamide
CID 7777713

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide?
The IUPAC name of 5-fluoro-2-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide (CID 124839611) is 5-fluoro-2-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide.
What is the SMILES notation for 5-fluoro-2-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide?
The canonical SMILES for 5-fluoro-2-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide is CCCNC(=O)[C@H](C)NC(=O)c1cc(F)ccc1NC(=O)[C@@H]1C[C@H]1C.
What is the InChIKey of 5-fluoro-2-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide?
The InChIKey is MQLMFTQTFCJMJC-NTZNESFSSA-N. The full InChI is InChI=1S/C18H24FN3O3/c1-4-7-20-16(23)11(3)21-18(25)14-9-12(19)5-6-15(14)22-17(24)13-8-10(13)2/h5-6,9-11,13H,4,7-8H2,1-3H3,(H,20,23)(H,21,25)(H,22,24)/t10-,11+,13-/m1/s1.
What are the key properties of 5-fluoro-2-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide?
5-fluoro-2-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide has a molecular weight of 349.41 g/mol, XLogP of 2.06, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide is sourced from PubChem (CID 124839611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).