N-(1-amino-2-hydroxy-1-oxo-4-phenylbutan-2-yl)-5-chloro-1H-indole-2-carboxamide

C19H18ClN3O3 — CID 22593878

IUPACN-(1-amino-2-hydroxy-1-oxo-4-phenylbutan-2-yl)-5-chloro-1H-indole-2-carboxamide
SMILESNC(=O)C(O)(CCc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C19H18ClN3O3/c20-14-6-7-15-13(10-14)11-16(22-15)17(24)23-19(26,18(21)25)9-8-12-4-2-1-3-5-12/h1-7,10-11,22,26H,8-9H2,(H2,21,25)(H,23,24)
InChIKeyJCTYMOUUCWDENN-UHFFFAOYSA-N
MW371.82 g/mol
LogP2.36
Rot. Bonds6

About N-(1-amino-2-hydroxy-1-oxo-4-phenylbutan-2-yl)-5-chloro-1H-indole-2-carboxamide

N-(1-amino-2-hydroxy-1-oxo-4-phenylbutan-2-yl)-5-chloro-1H-indole-2-carboxamide (PubChem CID 22593878) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is N-(1-amino-2-hydroxy-1-oxo-4-phenylbutan-2-yl)-5-chloro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-hydroxy-1-oxo-4-phenylbutan-2-yl)-5-chloro-1H-indole-2-carboxamide
PubChem CID22593878
Molecular FormulaC19H18ClN3O3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC NameN-(1-amino-2-hydroxy-1-oxo-4-phenylbutan-2-yl)-5-chloro-1H-indole-2-carboxamide
SMILESNC(=O)C(O)(CCc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C19H18ClN3O3/c20-14-6-7-15-13(10-14)11-16(22-15)17(24)23-19(26,18(21)25)9-8-12-4-2-1-3-5-12/h1-7,10-11,22,26H,8-9H2,(H2,21,25)(H,23,24)
InChIKeyJCTYMOUUCWDENN-UHFFFAOYSA-N
XLogP2.36
TPSA108.21 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 52.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl (2S)-2-[(5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-2-hydroxy-4-phenylbutanoate
CID 87844066
5-chloro-N-(2-phenylpropan-2-yl)-1H-indole-2-carboxamide
CID 118425264
(2R)-2-[(5-chloro-1H-indole-2-carbonyl)amino]-2-(2-hydroxyphenyl)butanoic acid
CID 70029552
(2S,3R)-3-[(5-chloro-1H-indole-2-carbonyl)amino]-2-hydroxy-4-phenylbutanoic acid
CID 10809326
5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide
CID 7323927
methyl (2R,3S)-3-[(5-chloro-1H-indole-2-carbonyl)amino]-2-hydroxy-4-phenylbutanoate
CID 10524239
5-chloro-N-[(2S)-4-(2,2-dihydroxypyrrolidin-1-yl)-2-hydroxy-4-oxo-1-phenylbutan-2-yl]-1H-indole-2-carboxamide
CID 57307891
6-chloro-N-(3-phenylpropyl)-1H-indole-2-carboxamide
CID 113207554
N-(1-benzylpiperidin-4-yl)-5-chloro-1H-indole-2-carboxamide
CID 2814764
N-[(Z)-[amino-(2-chlorophenyl)methylidene]amino]-5-chloro-1H-indole-2-carboxamide
CID 59992552
methyl (2S)-2-amino-3-phenylpropanoate;methyl (2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]-3-phenylpropanoate;hydrochloride
CID 67759859
5-chloro-N'-(2-phenylbenzoyl)-1H-indole-2-carbohydrazide
CID 10293735

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-hydroxy-1-oxo-4-phenylbutan-2-yl)-5-chloro-1H-indole-2-carboxamide?
The IUPAC name of N-(1-amino-2-hydroxy-1-oxo-4-phenylbutan-2-yl)-5-chloro-1H-indole-2-carboxamide (CID 22593878) is N-(1-amino-2-hydroxy-1-oxo-4-phenylbutan-2-yl)-5-chloro-1H-indole-2-carboxamide.
What is the SMILES notation for N-(1-amino-2-hydroxy-1-oxo-4-phenylbutan-2-yl)-5-chloro-1H-indole-2-carboxamide?
The canonical SMILES for N-(1-amino-2-hydroxy-1-oxo-4-phenylbutan-2-yl)-5-chloro-1H-indole-2-carboxamide is NC(=O)C(O)(CCc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of N-(1-amino-2-hydroxy-1-oxo-4-phenylbutan-2-yl)-5-chloro-1H-indole-2-carboxamide?
The InChIKey is JCTYMOUUCWDENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3/c20-14-6-7-15-13(10-14)11-16(22-15)17(24)23-19(26,18(21)25)9-8-12-4-2-1-3-5-12/h1-7,10-11,22,26H,8-9H2,(H2,21,25)(H,23,24).
What are the key properties of N-(1-amino-2-hydroxy-1-oxo-4-phenylbutan-2-yl)-5-chloro-1H-indole-2-carboxamide?
N-(1-amino-2-hydroxy-1-oxo-4-phenylbutan-2-yl)-5-chloro-1H-indole-2-carboxamide has a molecular weight of 371.82 g/mol, XLogP of 2.36, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-hydroxy-1-oxo-4-phenylbutan-2-yl)-5-chloro-1H-indole-2-carboxamide is sourced from PubChem (CID 22593878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).