N-[(5-cyclopropyl-1H-indazol-4-yl)methyl]-3-fluoro-4-(trifluoromethyl)benzamide

C19H15F4N3O — CID 137453579

IUPACN-[(5-cyclopropyl-1H-indazol-4-yl)methyl]-3-fluoro-4-(trifluoromethyl)benzamide
SMILESO=C(NCc1c(C2CC2)ccc2[nH]ncc12)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C19H15F4N3O/c20-16-7-11(3-5-15(16)19(21,22)23)18(27)24-8-13-12(10-1-2-10)4-6-17-14(13)9-25-26-17/h3-7,9-10H,1-2,8H2,(H,24,27)(H,25,26)
InChIKeyMXXFSMFHQHBYFT-UHFFFAOYSA-N
MW377.34 g/mol
LogP4.53
Rot. Bonds4

About N-[(5-cyclopropyl-1H-indazol-4-yl)methyl]-3-fluoro-4-(trifluoromethyl)benzamide

N-[(5-cyclopropyl-1H-indazol-4-yl)methyl]-3-fluoro-4-(trifluoromethyl)benzamide (PubChem CID 137453579) has the molecular formula C19H15F4N3O and a molecular weight of 377.34 g/mol. Its IUPAC name is N-[(5-cyclopropyl-1H-indazol-4-yl)methyl]-3-fluoro-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(5-cyclopropyl-1H-indazol-4-yl)methyl]-3-fluoro-4-(trifluoromethyl)benzamide
PubChem CID137453579
Molecular FormulaC19H15F4N3O
Molecular Weight377.34 g/mol
Exact Mass377.12
IUPAC NameN-[(5-cyclopropyl-1H-indazol-4-yl)methyl]-3-fluoro-4-(trifluoromethyl)benzamide
SMILESO=C(NCc1c(C2CC2)ccc2[nH]ncc12)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C19H15F4N3O/c20-16-7-11(3-5-15(16)19(21,22)23)18(27)24-8-13-12(10-1-2-10)4-6-17-14(13)9-25-26-17/h3-7,9-10H,1-2,8H2,(H,24,27)(H,25,26)
InChIKeyMXXFSMFHQHBYFT-UHFFFAOYSA-N
XLogP4.53
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.34
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-cyclopropyl-1H-indazol-4-yl)methyl]-4-(difluoromethyl)-3-fluorobenzamide
CID 137453584
N-[[3-amino-2-(aminomethyl)-6-cyclopropylphenyl]methyl]-3-chloro-4-(trifluoromethyl)benzamide
CID 146642785
3-fluoro-N-(iodomethyl)-4-(trifluoromethyl)benzamide
CID 162579994
3-chloro-4,5-difluoro-N-(1H-indazol-4-ylmethyl)benzamide
CID 137453536
N-(3-aminopropyl)-3-fluoro-4-(trifluoromethyl)benzamide
CID 118973559
N-[(3-amino-6-cyclopropyl-2-methanimidoylphenyl)methyl]-3-fluoro-4-(trifluoromethoxy)benzamide
CID 146643011
N-[2-(1,2-benzothiazol-3-ylamino)ethyl]-3-fluoro-4-(trifluoromethyl)benzamide
CID 57436450
N-[(3-amino-6-cyclopropyl-2-hydrazinylphenyl)methyl]-5-fluoro-6-methoxypyridine-3-carboxamide
CID 146643951
N-[(2,5-difluorophenyl)methyl]-1H-indazole-6-carboxamide
CID 63379684
N-[(3-amino-6-cyclopropyl-2-methanimidoylphenyl)methyl]-3,4,5-trifluorobenzamide
CID 146642760
4-[3-[[2,6-bis(trifluoromethyl)phenyl]methylcarbamoyl]-4-fluorophenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 118888933
N-ethyl-3-fluoro-4-piperidin-4-ylbenzamide
CID 169452670

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-1H-indazol-4-yl)methyl]-3-fluoro-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[(5-cyclopropyl-1H-indazol-4-yl)methyl]-3-fluoro-4-(trifluoromethyl)benzamide (CID 137453579) is N-[(5-cyclopropyl-1H-indazol-4-yl)methyl]-3-fluoro-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(5-cyclopropyl-1H-indazol-4-yl)methyl]-3-fluoro-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(5-cyclopropyl-1H-indazol-4-yl)methyl]-3-fluoro-4-(trifluoromethyl)benzamide is O=C(NCc1c(C2CC2)ccc2[nH]ncc12)c1ccc(C(F)(F)F)c(F)c1.
What is the InChIKey of N-[(5-cyclopropyl-1H-indazol-4-yl)methyl]-3-fluoro-4-(trifluoromethyl)benzamide?
The InChIKey is MXXFSMFHQHBYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F4N3O/c20-16-7-11(3-5-15(16)19(21,22)23)18(27)24-8-13-12(10-1-2-10)4-6-17-14(13)9-25-26-17/h3-7,9-10H,1-2,8H2,(H,24,27)(H,25,26).
What are the key properties of N-[(5-cyclopropyl-1H-indazol-4-yl)methyl]-3-fluoro-4-(trifluoromethyl)benzamide?
N-[(5-cyclopropyl-1H-indazol-4-yl)methyl]-3-fluoro-4-(trifluoromethyl)benzamide has a molecular weight of 377.34 g/mol, XLogP of 4.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-1H-indazol-4-yl)methyl]-3-fluoro-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 137453579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).