N-[5-[[(2S)-4-amino-2-(3-chlorophenyl)butanoyl]amino]-1H-indazol-3-yl]benzamide

C24H22ClN5O2 — CID 24894158

IUPACN-[5-[[(2S)-4-amino-2-(3-chlorophenyl)butanoyl]amino]-1H-indazol-3-yl]benzamide
SMILESNCCC(C(=O)Nc1ccc2[nH]nc(NC(=O)c3ccccc3)c2c1)c1cccc(Cl)c1
InChIInChI=1S/C24H22ClN5O2/c25-17-8-4-7-16(13-17)19(11-12-26)24(32)27-18-9-10-21-20(14-18)22(30-29-21)28-23(31)15-5-2-1-3-6-15/h1-10,13-14,19H,11-12,26H2,(H,27,32)(H2,28,29,30,31)
InChIKeyJDGOPNUGILVNJZ-UHFFFAOYSA-N
MW447.93 g/mol
LogP4.54
Rot. Bonds7

About N-[5-[[(2S)-4-amino-2-(3-chlorophenyl)butanoyl]amino]-1H-indazol-3-yl]benzamide

N-[5-[[(2S)-4-amino-2-(3-chlorophenyl)butanoyl]amino]-1H-indazol-3-yl]benzamide (PubChem CID 24894158) has the molecular formula C24H22ClN5O2 and a molecular weight of 447.93 g/mol. Its IUPAC name is N-[5-[[(2S)-4-amino-2-(3-chlorophenyl)butanoyl]amino]-1H-indazol-3-yl]benzamide.

Molecular Properties

Compound NameN-[5-[[(2S)-4-amino-2-(3-chlorophenyl)butanoyl]amino]-1H-indazol-3-yl]benzamide
PubChem CID24894158
Molecular FormulaC24H22ClN5O2
Molecular Weight447.93 g/mol
Exact Mass447.15
IUPAC NameN-[5-[[(2S)-4-amino-2-(3-chlorophenyl)butanoyl]amino]-1H-indazol-3-yl]benzamide
SMILESNCCC(C(=O)Nc1ccc2[nH]nc(NC(=O)c3ccccc3)c2c1)c1cccc(Cl)c1
InChIInChI=1S/C24H22ClN5O2/c25-17-8-4-7-16(13-17)19(11-12-26)24(32)27-18-9-10-21-20(14-18)22(30-29-21)28-23(31)15-5-2-1-3-6-15/h1-10,13-14,19H,11-12,26H2,(H,27,32)(H2,28,29,30,31)
InChIKeyJDGOPNUGILVNJZ-UHFFFAOYSA-N
XLogP4.54
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.93
LogP ≤ 54.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3-amino-1H-indazol-4-yl)phenyl]benzamide
CID 16125109
N-(6-(2-chlorophenyl)-1H-indazol-3-yl)butyramide
CID 10380885
2-(3-chlorophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]acetamide
CID 10158127
3-amino-N-[3-[[(3,4-difluorophenyl)carbamoylamino]methyl]phenyl]-1H-indazole-4-carboxamide
CID 25174496
N-(5-(ethylamino)-1H-indazol-3-yl)-2-phenylacetamide
CID 44447902
N-(5-(diethylamino)-1H-indazol-3-yl)-2-phenylacetamide
CID 44447903
N-(5-(2-oxopyrrolidin-1-yl)-1H-indazol-3-yl)-2-phenylacetamide
CID 44447906
3-amino-N-[3-[[(3-fluorophenyl)carbamoylamino]methyl]phenyl]-1H-indazole-4-carboxamide
CID 66721774
3-[3-(cyclopropanecarbonylamino)-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 68234023
3-[3-(cyclopropanecarbonylamino)-1H-indazol-6-yl]-N-methylbenzamide
CID 68234126
N-cyclopropyl-3-[3-[[cyclopropyl(oxo)methyl]amino]-1H-indazol-6-yl]benzamide
CID 68234129
6-(3-amino-1H-indazol-4-yl)-N-(3,5-dichlorophenyl)naphthalene-1-carboxamide
CID 90644654

Frequently Asked Questions

What is the IUPAC name of N-[5-[[(2S)-4-amino-2-(3-chlorophenyl)butanoyl]amino]-1H-indazol-3-yl]benzamide?
The IUPAC name of N-[5-[[(2S)-4-amino-2-(3-chlorophenyl)butanoyl]amino]-1H-indazol-3-yl]benzamide (CID 24894158) is N-[5-[[(2S)-4-amino-2-(3-chlorophenyl)butanoyl]amino]-1H-indazol-3-yl]benzamide.
What is the SMILES notation for N-[5-[[(2S)-4-amino-2-(3-chlorophenyl)butanoyl]amino]-1H-indazol-3-yl]benzamide?
The canonical SMILES for N-[5-[[(2S)-4-amino-2-(3-chlorophenyl)butanoyl]amino]-1H-indazol-3-yl]benzamide is NCCC(C(=O)Nc1ccc2[nH]nc(NC(=O)c3ccccc3)c2c1)c1cccc(Cl)c1.
What is the InChIKey of N-[5-[[(2S)-4-amino-2-(3-chlorophenyl)butanoyl]amino]-1H-indazol-3-yl]benzamide?
The InChIKey is JDGOPNUGILVNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN5O2/c25-17-8-4-7-16(13-17)19(11-12-26)24(32)27-18-9-10-21-20(14-18)22(30-29-21)28-23(31)15-5-2-1-3-6-15/h1-10,13-14,19H,11-12,26H2,(H,27,32)(H2,28,29,30,31).
What are the key properties of N-[5-[[(2S)-4-amino-2-(3-chlorophenyl)butanoyl]amino]-1H-indazol-3-yl]benzamide?
N-[5-[[(2S)-4-amino-2-(3-chlorophenyl)butanoyl]amino]-1H-indazol-3-yl]benzamide has a molecular weight of 447.93 g/mol, XLogP of 4.54, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[(2S)-4-amino-2-(3-chlorophenyl)butanoyl]amino]-1H-indazol-3-yl]benzamide is sourced from PubChem (CID 24894158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).