5-bromo-N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-1H-indole-3-carboxamide

C20H19BrN2O2 — CID 97000101

IUPAC5-bromo-N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-1H-indole-3-carboxamide
SMILESCOc1ccc([C@H](NC(=O)c2c[nH]c3ccc(Br)cc23)C2CC2)cc1
InChIInChI=1S/C20H19BrN2O2/c1-25-15-7-4-13(5-8-15)19(12-2-3-12)23-20(24)17-11-22-18-9-6-14(21)10-16(17)18/h4-12,19,22H,2-3H2,1H3,(H,23,24)/t19-/m1/s1
InChIKeySZSXNZZASLZPTC-LJQANCHMSA-N
MW399.29 g/mol
LogP4.82
Rot. Bonds5

About 5-bromo-N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-1H-indole-3-carboxamide

5-bromo-N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-1H-indole-3-carboxamide (PubChem CID 97000101) has the molecular formula C20H19BrN2O2 and a molecular weight of 399.29 g/mol. Its IUPAC name is 5-bromo-N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-1H-indole-3-carboxamide
PubChem CID97000101
Molecular FormulaC20H19BrN2O2
Molecular Weight399.29 g/mol
Exact Mass398.06
IUPAC Name5-bromo-N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-1H-indole-3-carboxamide
SMILESCOc1ccc([C@H](NC(=O)c2c[nH]c3ccc(Br)cc23)C2CC2)cc1
InChIInChI=1S/C20H19BrN2O2/c1-25-15-7-4-13(5-8-15)19(12-2-3-12)23-20(24)17-11-22-18-9-6-14(21)10-16(17)18/h4-12,19,22H,2-3H2,1H3,(H,23,24)/t19-/m1/s1
InChIKeySZSXNZZASLZPTC-LJQANCHMSA-N
XLogP4.82
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.29
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 38468848
5-bromo-N-methyl-1H-indole-3-carboxamide
CID 142746507
N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide
CID 60701170
N-[cyclopropyl-(4-methoxyphenyl)methyl]benzamide
CID 46566275
4-chloro-N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-iodobenzamide
CID 55686041
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2H-triazole-4-carboxamide
CID 112733298
5-bromo-N-cyclopentyl-1H-indole-3-carboxamide
CID 172654540
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 60701189
N-[cyclopropyl-(4-methoxyphenyl)methyl]-3,4-difluorobenzamide
CID 46571976
5-bromo-1H-indole-3-carbohydrazide
CID 156904296
N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]-1-oxo-2H-isoquinoline-3-carboxamide
CID 37288088
N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136845482

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-1H-indole-3-carboxamide?
The IUPAC name of 5-bromo-N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-1H-indole-3-carboxamide (CID 97000101) is 5-bromo-N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-1H-indole-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-1H-indole-3-carboxamide?
The canonical SMILES for 5-bromo-N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-1H-indole-3-carboxamide is COc1ccc([C@H](NC(=O)c2c[nH]c3ccc(Br)cc23)C2CC2)cc1.
What is the InChIKey of 5-bromo-N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-1H-indole-3-carboxamide?
The InChIKey is SZSXNZZASLZPTC-LJQANCHMSA-N. The full InChI is InChI=1S/C20H19BrN2O2/c1-25-15-7-4-13(5-8-15)19(12-2-3-12)23-20(24)17-11-22-18-9-6-14(21)10-16(17)18/h4-12,19,22H,2-3H2,1H3,(H,23,24)/t19-/m1/s1.
What are the key properties of 5-bromo-N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-1H-indole-3-carboxamide?
5-bromo-N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-1H-indole-3-carboxamide has a molecular weight of 399.29 g/mol, XLogP of 4.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 97000101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).