N-cyclopropyl-2-[(2,4-difluorophenyl)carbamoyl-propylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide

C21H26F2N4O2 — CID 3972371

IUPACN-cyclopropyl-2-[(2,4-difluorophenyl)carbamoyl-propylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
SMILESCCCN(CC(=O)N(Cc1cccn1C)C1CC1)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C21H26F2N4O2/c1-3-10-26(21(29)24-19-9-6-15(22)12-18(19)23)14-20(28)27(16-7-8-16)13-17-5-4-11-25(17)2/h4-6,9,11-12,16H,3,7-8,10,13-14H2,1-2H3,(H,24,29)
InChIKeyYJLAQEBRPANLQQ-UHFFFAOYSA-N
MW404.46 g/mol
LogP3.74
Rot. Bonds8

About N-cyclopropyl-2-[(2,4-difluorophenyl)carbamoyl-propylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide

N-cyclopropyl-2-[(2,4-difluorophenyl)carbamoyl-propylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide (PubChem CID 3972371) has the molecular formula C21H26F2N4O2 and a molecular weight of 404.46 g/mol. Its IUPAC name is N-cyclopropyl-2-[(2,4-difluorophenyl)carbamoyl-propylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(2,4-difluorophenyl)carbamoyl-propylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
PubChem CID3972371
Molecular FormulaC21H26F2N4O2
Molecular Weight404.46 g/mol
Exact Mass404.20
IUPAC NameN-cyclopropyl-2-[(2,4-difluorophenyl)carbamoyl-propylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
SMILESCCCN(CC(=O)N(Cc1cccn1C)C1CC1)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C21H26F2N4O2/c1-3-10-26(21(29)24-19-9-6-15(22)12-18(19)23)14-20(28)27(16-7-8-16)13-17-5-4-11-25(17)2/h4-6,9,11-12,16H,3,7-8,10,13-14H2,1-2H3,(H,24,29)
InChIKeyYJLAQEBRPANLQQ-UHFFFAOYSA-N
XLogP3.74
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.46
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-[(2-methylphenyl)carbamoyl-propylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3887367
2-[butyl-[(3-fluorophenyl)carbamoyl]amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 5108993
2-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl-propylamino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 4211008
N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]-2-[propyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide
CID 3430639
N-cyclopropyl-2-[(3-ethylphenyl)carbamoyl-propylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3437307
2-[(2,4-difluorophenyl)carbamoyl-(2-methylpropyl)amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3597442
2-[cyclohexylcarbamoyl(propyl)amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3932345
N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-propylbutanamide
CID 5002955
2-[butyl(naphthalen-1-ylcarbamoyl)amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3880638
2-[benzylcarbamoyl(propyl)amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3906670
N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-propyl-3-(trifluoromethyl)benzamide
CID 4044022
2-[butan-2-yl-[(2-fluorophenyl)carbamoyl]amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 4580447

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(2,4-difluorophenyl)carbamoyl-propylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The IUPAC name of N-cyclopropyl-2-[(2,4-difluorophenyl)carbamoyl-propylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide (CID 3972371) is N-cyclopropyl-2-[(2,4-difluorophenyl)carbamoyl-propylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[(2,4-difluorophenyl)carbamoyl-propylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[(2,4-difluorophenyl)carbamoyl-propylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide is CCCN(CC(=O)N(Cc1cccn1C)C1CC1)C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of N-cyclopropyl-2-[(2,4-difluorophenyl)carbamoyl-propylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The InChIKey is YJLAQEBRPANLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F2N4O2/c1-3-10-26(21(29)24-19-9-6-15(22)12-18(19)23)14-20(28)27(16-7-8-16)13-17-5-4-11-25(17)2/h4-6,9,11-12,16H,3,7-8,10,13-14H2,1-2H3,(H,24,29).
What are the key properties of N-cyclopropyl-2-[(2,4-difluorophenyl)carbamoyl-propylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
N-cyclopropyl-2-[(2,4-difluorophenyl)carbamoyl-propylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide has a molecular weight of 404.46 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(2,4-difluorophenyl)carbamoyl-propylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide is sourced from PubChem (CID 3972371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).