[4-[(4-cyclopropyl-3-fluoroanilino)methyl]phenyl]-pyrrolidin-1-ylmethanone

C21H23FN2O — CID 119047392

IUPAC[4-[(4-cyclopropyl-3-fluoroanilino)methyl]phenyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(CNc2ccc(C3CC3)c(F)c2)cc1)N1CCCC1
InChIInChI=1S/C21H23FN2O/c22-20-13-18(9-10-19(20)16-7-8-16)23-14-15-3-5-17(6-4-15)21(25)24-11-1-2-12-24/h3-6,9-10,13,16,23H,1-2,7-8,11-12,14H2
InChIKeyBXNFCFBFDCTPJB-UHFFFAOYSA-N
MW338.43 g/mol
LogP4.55
Rot. Bonds5

About [4-[(4-cyclopropyl-3-fluoroanilino)methyl]phenyl]-pyrrolidin-1-ylmethanone

[4-[(4-cyclopropyl-3-fluoroanilino)methyl]phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 119047392) has the molecular formula C21H23FN2O and a molecular weight of 338.43 g/mol. Its IUPAC name is [4-[(4-cyclopropyl-3-fluoroanilino)methyl]phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[(4-cyclopropyl-3-fluoroanilino)methyl]phenyl]-pyrrolidin-1-ylmethanone
PubChem CID119047392
Molecular FormulaC21H23FN2O
Molecular Weight338.43 g/mol
Exact Mass338.18
IUPAC Name[4-[(4-cyclopropyl-3-fluoroanilino)methyl]phenyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(CNc2ccc(C3CC3)c(F)c2)cc1)N1CCCC1
InChIInChI=1S/C21H23FN2O/c22-20-13-18(9-10-19(20)16-7-8-16)23-14-15-3-5-17(6-4-15)21(25)24-11-1-2-12-24/h3-6,9-10,13,16,23H,1-2,7-8,11-12,14H2
InChIKeyBXNFCFBFDCTPJB-UHFFFAOYSA-N
XLogP4.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-5-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]benzoic acid
CID 166247937
[4-[[(2-chloro-4-pyridinyl)amino]methyl]phenyl]-piperidin-1-ylmethanone
CID 133373184
N-(4-cyclopropyl-3-fluorophenyl)-4-(thiophene-3-carbonyl)-1,4-diazepane-1-carboxamide
CID 119048910
[4-[[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]-piperidin-1-ylmethanone
CID 127417891
N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclopentanecarboxamide
CID 18119554
2-[(4-fluorophenyl)methylamino]-N-[4-(piperidine-1-carbonyl)phenyl]acetamide
CID 24792509
[4-[[4-(hydroxymethyl)phenyl]methylamino]phenyl]-morpholin-4-ylmethanone
CID 110006533
N-cyclopropyl-4-[[2-oxo-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]ethyl]amino]benzamide
CID 32976847
2-(2-fluorophenyl)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]acetamide
CID 18159675
[4-(piperidine-1-carbonyl)phenyl]methylurea
CID 51073375
[4-(aminomethyl)phenyl]-piperidin-1-ylmethanone
CID 7131263
[4-[[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]methyl]phenyl]-piperidin-1-ylmethanone
CID 137336198

Frequently Asked Questions

What is the IUPAC name of [4-[(4-cyclopropyl-3-fluoroanilino)methyl]phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-[(4-cyclopropyl-3-fluoroanilino)methyl]phenyl]-pyrrolidin-1-ylmethanone (CID 119047392) is [4-[(4-cyclopropyl-3-fluoroanilino)methyl]phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-[(4-cyclopropyl-3-fluoroanilino)methyl]phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-[(4-cyclopropyl-3-fluoroanilino)methyl]phenyl]-pyrrolidin-1-ylmethanone is O=C(c1ccc(CNc2ccc(C3CC3)c(F)c2)cc1)N1CCCC1.
What is the InChIKey of [4-[(4-cyclopropyl-3-fluoroanilino)methyl]phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is BXNFCFBFDCTPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O/c22-20-13-18(9-10-19(20)16-7-8-16)23-14-15-3-5-17(6-4-15)21(25)24-11-1-2-12-24/h3-6,9-10,13,16,23H,1-2,7-8,11-12,14H2.
What are the key properties of [4-[(4-cyclopropyl-3-fluoroanilino)methyl]phenyl]-pyrrolidin-1-ylmethanone?
[4-[(4-cyclopropyl-3-fluoroanilino)methyl]phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 338.43 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-cyclopropyl-3-fluoroanilino)methyl]phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 119047392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).