N-[1-[[4-(4-fluoroanilino)phenyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide

C22H20FN5O2 — CID 59496435

IUPACN-[1-[[4-(4-fluoroanilino)phenyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide
SMILESO=C(NC1(C(=O)NCc2ccc(Nc3ccc(F)cc3)cc2)CC1)c1cncnc1
InChIInChI=1S/C22H20FN5O2/c23-17-3-7-19(8-4-17)27-18-5-1-15(2-6-18)11-26-21(30)22(9-10-22)28-20(29)16-12-24-14-25-13-16/h1-8,12-14,27H,9-11H2,(H,26,30)(H,28,29)
InChIKeySLJXYGDEXWXCRU-UHFFFAOYSA-N
MW405.43 g/mol
LogP2.94
Rot. Bonds7

About N-[1-[[4-(4-fluoroanilino)phenyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide

N-[1-[[4-(4-fluoroanilino)phenyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide (PubChem CID 59496435) has the molecular formula C22H20FN5O2 and a molecular weight of 405.43 g/mol. Its IUPAC name is N-[1-[[4-(4-fluoroanilino)phenyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[1-[[4-(4-fluoroanilino)phenyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide
PubChem CID59496435
Molecular FormulaC22H20FN5O2
Molecular Weight405.43 g/mol
Exact Mass405.16
IUPAC NameN-[1-[[4-(4-fluoroanilino)phenyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide
SMILESO=C(NC1(C(=O)NCc2ccc(Nc3ccc(F)cc3)cc2)CC1)c1cncnc1
InChIInChI=1S/C22H20FN5O2/c23-17-3-7-19(8-4-17)27-18-5-1-15(2-6-18)11-26-21(30)22(9-10-22)28-20(29)16-12-24-14-25-13-16/h1-8,12-14,27H,9-11H2,(H,26,30)(H,28,29)
InChIKeySLJXYGDEXWXCRU-UHFFFAOYSA-N
XLogP2.94
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(4-fluoroanilino)phenyl]methyl]-1-(2-oxo-2-pyrimidin-5-ylethyl)cyclopropane-1-carboxamide
CID 158746180
N-[1-[[4-(2-cyano-6-fluoroanilino)phenyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide;methane
CID 159730434
N-[1-[[4-(4-methoxy-2-methylanilino)phenyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide
CID 59496187
N-[1-[[4-(4-fluoro-2-methylanilino)phenyl]methylcarbamoyl]cyclopropyl]-2-methylpyrimidine-5-carboxamide
CID 91173666
N-[1-[[4-[4-methylsulfonyl-2-(trifluoromethyl)anilino]phenyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide
CID 59496190
N-[1-[[4-(4-carbamoylphenoxy)phenyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide
CID 25232411
N-[1-[(4-bromo-2-fluorophenyl)methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide
CID 69268257
N-[1-[[5-(2-chloroanilino)-3-fluoro-2-pyridinyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide;methane
CID 159993401
N-[1-[[4-(2,4-dichlorophenoxy)phenyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide
CID 25233474
N-[1-[[4-[4-chloro-2-(trifluoromethyl)phenoxy]phenyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide
CID 66792381
N-[1-[[4-(4-bromo-2-chlorophenoxy)phenyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide
CID 58487821
N-[1-[[4-phenoxy-3-(trifluoromethyl)phenyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide
CID 25232589

Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-(4-fluoroanilino)phenyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide?
The IUPAC name of N-[1-[[4-(4-fluoroanilino)phenyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide (CID 59496435) is N-[1-[[4-(4-fluoroanilino)phenyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[1-[[4-(4-fluoroanilino)phenyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide?
The canonical SMILES for N-[1-[[4-(4-fluoroanilino)phenyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide is O=C(NC1(C(=O)NCc2ccc(Nc3ccc(F)cc3)cc2)CC1)c1cncnc1.
What is the InChIKey of N-[1-[[4-(4-fluoroanilino)phenyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide?
The InChIKey is SLJXYGDEXWXCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O2/c23-17-3-7-19(8-4-17)27-18-5-1-15(2-6-18)11-26-21(30)22(9-10-22)28-20(29)16-12-24-14-25-13-16/h1-8,12-14,27H,9-11H2,(H,26,30)(H,28,29).
What are the key properties of N-[1-[[4-(4-fluoroanilino)phenyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide?
N-[1-[[4-(4-fluoroanilino)phenyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide has a molecular weight of 405.43 g/mol, XLogP of 2.94, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-(4-fluoroanilino)phenyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 59496435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).