N-[(1-benzylpyrrol-2-yl)methyl]-N-cyclopropyl-4-fluorobenzamide

C22H21FN2O — CID 810218

IUPACN-[(1-benzylpyrrol-2-yl)methyl]-N-cyclopropyl-4-fluorobenzamide
SMILESO=C(c1ccc(F)cc1)N(Cc1cccn1Cc1ccccc1)C1CC1
InChIInChI=1S/C22H21FN2O/c23-19-10-8-18(9-11-19)22(26)25(20-12-13-20)16-21-7-4-14-24(21)15-17-5-2-1-3-6-17/h1-11,14,20H,12-13,15-16H2
InChIKeyBSMKQIGZBLWOIE-UHFFFAOYSA-N
MW348.42 g/mol
LogP4.48
Rot. Bonds6

About N-[(1-benzylpyrrol-2-yl)methyl]-N-cyclopropyl-4-fluorobenzamide

N-[(1-benzylpyrrol-2-yl)methyl]-N-cyclopropyl-4-fluorobenzamide (PubChem CID 810218) has the molecular formula C22H21FN2O and a molecular weight of 348.42 g/mol. Its IUPAC name is N-[(1-benzylpyrrol-2-yl)methyl]-N-cyclopropyl-4-fluorobenzamide.

Molecular Properties

Compound NameN-[(1-benzylpyrrol-2-yl)methyl]-N-cyclopropyl-4-fluorobenzamide
PubChem CID810218
Molecular FormulaC22H21FN2O
Molecular Weight348.42 g/mol
Exact Mass348.16
IUPAC NameN-[(1-benzylpyrrol-2-yl)methyl]-N-cyclopropyl-4-fluorobenzamide
SMILESO=C(c1ccc(F)cc1)N(Cc1cccn1Cc1ccccc1)C1CC1
InChIInChI=1S/C22H21FN2O/c23-19-10-8-18(9-11-19)22(26)25(20-12-13-20)16-21-7-4-14-24(21)15-17-5-2-1-3-6-17/h1-11,14,20H,12-13,15-16H2
InChIKeyBSMKQIGZBLWOIE-UHFFFAOYSA-N
XLogP4.48
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-4-fluoro-N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]benzamide
CID 42762619
N-[(1-benzylpyrrol-2-yl)methyl]-4-fluoro-N-propan-2-ylbenzamide
CID 3915866
N-cyclohexyl-N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-3,5-bis(trifluoromethyl)benzamide
CID 42663039
N-[2-[(1-benzylpyrrol-2-yl)methyl-propan-2-ylamino]-2-oxoethyl]-N-cyclopropyl-4-methylbenzamide
CID 3440075
(2R)-N-[(1-benzylpyrrol-2-yl)methyl]-2-chloro-N-cyclopropylpropanamide
CID 810234
1-[(1-benzylpyrrol-2-yl)methyl]-1-cyclopropyl-3-[2-(trifluoromethyl)phenyl]urea
CID 3550889
N-[(1-benzylpyrrol-2-yl)methyl]-N-cyclopropyl-3-phenylprop-2-enamide
CID 4024183
4-tert-butyl-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclopropylbenzamide
CID 42764279
N-butyl-N-[2-[cyclohexyl-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]-2-oxoethyl]-4-phenylbenzamide
CID 5023389
N-cyclohexyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-3,5-bis(trifluoromethyl)benzamide
CID 4617614
N-[(1-benzylpyrrol-2-yl)methyl]-N-cyclopropyl-2-phenylbutanamide
CID 3534668
N-[2-[cyclohexyl-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]-2-oxoethyl]-4-methyl-N-propan-2-ylbenzamide
CID 1198554

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrrol-2-yl)methyl]-N-cyclopropyl-4-fluorobenzamide?
The IUPAC name of N-[(1-benzylpyrrol-2-yl)methyl]-N-cyclopropyl-4-fluorobenzamide (CID 810218) is N-[(1-benzylpyrrol-2-yl)methyl]-N-cyclopropyl-4-fluorobenzamide.
What is the SMILES notation for N-[(1-benzylpyrrol-2-yl)methyl]-N-cyclopropyl-4-fluorobenzamide?
The canonical SMILES for N-[(1-benzylpyrrol-2-yl)methyl]-N-cyclopropyl-4-fluorobenzamide is O=C(c1ccc(F)cc1)N(Cc1cccn1Cc1ccccc1)C1CC1.
What is the InChIKey of N-[(1-benzylpyrrol-2-yl)methyl]-N-cyclopropyl-4-fluorobenzamide?
The InChIKey is BSMKQIGZBLWOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O/c23-19-10-8-18(9-11-19)22(26)25(20-12-13-20)16-21-7-4-14-24(21)15-17-5-2-1-3-6-17/h1-11,14,20H,12-13,15-16H2.
What are the key properties of N-[(1-benzylpyrrol-2-yl)methyl]-N-cyclopropyl-4-fluorobenzamide?
N-[(1-benzylpyrrol-2-yl)methyl]-N-cyclopropyl-4-fluorobenzamide has a molecular weight of 348.42 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpyrrol-2-yl)methyl]-N-cyclopropyl-4-fluorobenzamide is sourced from PubChem (CID 810218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).