N-[1-[(4-bromo-2-fluorophenyl)methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide

C16H14BrFN4O2 — CID 69268257

IUPACN-[1-[(4-bromo-2-fluorophenyl)methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide
SMILESO=C(NC1(C(=O)NCc2ccc(Br)cc2F)CC1)c1cncnc1
InChIInChI=1S/C16H14BrFN4O2/c17-12-2-1-10(13(18)5-12)8-21-15(24)16(3-4-16)22-14(23)11-6-19-9-20-7-11/h1-2,5-7,9H,3-4,8H2,(H,21,24)(H,22,23)
InChIKeyJJLZQOUAYJSLPL-UHFFFAOYSA-N
MW393.22 g/mol
LogP1.96
Rot. Bonds5

About N-[1-[(4-bromo-2-fluorophenyl)methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide

N-[1-[(4-bromo-2-fluorophenyl)methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide (PubChem CID 69268257) has the molecular formula C16H14BrFN4O2 and a molecular weight of 393.22 g/mol. Its IUPAC name is N-[1-[(4-bromo-2-fluorophenyl)methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-bromo-2-fluorophenyl)methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide
PubChem CID69268257
Molecular FormulaC16H14BrFN4O2
Molecular Weight393.22 g/mol
Exact Mass392.03
IUPAC NameN-[1-[(4-bromo-2-fluorophenyl)methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide
SMILESO=C(NC1(C(=O)NCc2ccc(Br)cc2F)CC1)c1cncnc1
InChIInChI=1S/C16H14BrFN4O2/c17-12-2-1-10(13(18)5-12)8-21-15(24)16(3-4-16)22-14(23)11-6-19-9-20-7-11/h1-2,5-7,9H,3-4,8H2,(H,21,24)(H,22,23)
InChIKeyJJLZQOUAYJSLPL-UHFFFAOYSA-N
XLogP1.96
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.22
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[[4-(4-bromo-2-chlorophenoxy)phenyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide
CID 58487821
N-[1-[[4-(4-fluoroanilino)phenyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide
CID 59496435
N-[1-[[4-(1,3-benzodioxol-5-yloxy)-3-fluorophenyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide
CID 25232414
N-[(4-bromo-2-fluorophenyl)methyl]-3-fluoropyrrolidine-3-carboxamide;hydrochloride
CID 86780208
N-[1-[(2,6-dimethyl-4-phenoxyphenyl)methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide
CID 25232412
N-[1-[[4-(2,5-dimethylpyrrolidine-1-carbonyl)-2-fluorophenyl]methylcarbamoyl]cyclopropyl]-5-(trifluoromethyl)pyridine-3-carboxamide
CID 68729215
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-carbamoylphenoxy)phenyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide
CID 25232411
N-[1-[[4-[4-chloro-2-(trifluoromethyl)phenoxy]phenyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide
CID 66792381
N-[1-[[4-(2-cyano-6-fluoroanilino)phenyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide;methane
CID 159730434
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-bromo-2-fluorophenyl)methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide?
The IUPAC name of N-[1-[(4-bromo-2-fluorophenyl)methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide (CID 69268257) is N-[1-[(4-bromo-2-fluorophenyl)methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[1-[(4-bromo-2-fluorophenyl)methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide?
The canonical SMILES for N-[1-[(4-bromo-2-fluorophenyl)methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide is O=C(NC1(C(=O)NCc2ccc(Br)cc2F)CC1)c1cncnc1.
What is the InChIKey of N-[1-[(4-bromo-2-fluorophenyl)methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide?
The InChIKey is JJLZQOUAYJSLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFN4O2/c17-12-2-1-10(13(18)5-12)8-21-15(24)16(3-4-16)22-14(23)11-6-19-9-20-7-11/h1-2,5-7,9H,3-4,8H2,(H,21,24)(H,22,23).
What are the key properties of N-[1-[(4-bromo-2-fluorophenyl)methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide?
N-[1-[(4-bromo-2-fluorophenyl)methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide has a molecular weight of 393.22 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-bromo-2-fluorophenyl)methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 69268257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).