N-[(4-acetamidophenyl)methyl]-5-bromo-1H-indole-2-carboxamide

C18H16BrN3O2 — CID 24678417

IUPACN-[(4-acetamidophenyl)methyl]-5-bromo-1H-indole-2-carboxamide
SMILESCC(=O)Nc1ccc(CNC(=O)c2cc3cc(Br)ccc3[nH]2)cc1
InChIInChI=1S/C18H16BrN3O2/c1-11(23)21-15-5-2-12(3-6-15)10-20-18(24)17-9-13-8-14(19)4-7-16(13)22-17/h2-9,22H,10H2,1H3,(H,20,24)(H,21,23)
InChIKeyBYVQRKUALNXAPJ-UHFFFAOYSA-N
MW386.25 g/mol
LogP3.82
Rot. Bonds4

About N-[(4-acetamidophenyl)methyl]-5-bromo-1H-indole-2-carboxamide

N-[(4-acetamidophenyl)methyl]-5-bromo-1H-indole-2-carboxamide (PubChem CID 24678417) has the molecular formula C18H16BrN3O2 and a molecular weight of 386.25 g/mol. Its IUPAC name is N-[(4-acetamidophenyl)methyl]-5-bromo-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(4-acetamidophenyl)methyl]-5-bromo-1H-indole-2-carboxamide
PubChem CID24678417
Molecular FormulaC18H16BrN3O2
Molecular Weight386.25 g/mol
Exact Mass385.04
IUPAC NameN-[(4-acetamidophenyl)methyl]-5-bromo-1H-indole-2-carboxamide
SMILESCC(=O)Nc1ccc(CNC(=O)c2cc3cc(Br)ccc3[nH]2)cc1
InChIInChI=1S/C18H16BrN3O2/c1-11(23)21-15-5-2-12(3-6-15)10-20-18(24)17-9-13-8-14(19)4-7-16(13)22-17/h2-9,22H,10H2,1H3,(H,20,24)(H,21,23)
InChIKeyBYVQRKUALNXAPJ-UHFFFAOYSA-N
XLogP3.82
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromophenyl)methyl]-1H-indole-2-carboxamide
CID 46921176
N-[[4-(methanesulfonamido)phenyl]methyl]-5-methyl-1H-indole-2-carboxamide
CID 47057856
5-bromo-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-indole-2-carboxamide
CID 86836262
N-benzyl-5-[[2-(4-fluorophenyl)acetyl]amino]-1H-indole-2-carboxamide
CID 83289806
6-bromo-N-[(3-bromophenyl)methyl]-1H-indole-2-carboxamide
CID 175535401
N-benzyl-5-(3-phenylpropanoylamino)-1H-indole-2-carboxamide
CID 83289883
N-benzyl-5-fluoro-1H-indole-2-carboxamide;ethane
CID 144936015
5-bromo-N-(3-propan-2-yloxypropyl)-1H-indole-2-carboxamide
CID 39983958
methyl 4-[[(5-chloro-1H-indole-2-carbonyl)amino]methyl]benzoate
CID 46559753
N-benzyl-5-fluoro-1H-indole-2-carboxamide;hydrochloride
CID 44666094
N-[4-(2-amino-2-oxoethyl)phenyl]-6-bromo-1H-indole-2-carboxamide
CID 31861888
5-bromo-N,N-diethyl-1H-indole-2-carboxamide
CID 46555997

Frequently Asked Questions

What is the IUPAC name of N-[(4-acetamidophenyl)methyl]-5-bromo-1H-indole-2-carboxamide?
The IUPAC name of N-[(4-acetamidophenyl)methyl]-5-bromo-1H-indole-2-carboxamide (CID 24678417) is N-[(4-acetamidophenyl)methyl]-5-bromo-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(4-acetamidophenyl)methyl]-5-bromo-1H-indole-2-carboxamide?
The canonical SMILES for N-[(4-acetamidophenyl)methyl]-5-bromo-1H-indole-2-carboxamide is CC(=O)Nc1ccc(CNC(=O)c2cc3cc(Br)ccc3[nH]2)cc1.
What is the InChIKey of N-[(4-acetamidophenyl)methyl]-5-bromo-1H-indole-2-carboxamide?
The InChIKey is BYVQRKUALNXAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O2/c1-11(23)21-15-5-2-12(3-6-15)10-20-18(24)17-9-13-8-14(19)4-7-16(13)22-17/h2-9,22H,10H2,1H3,(H,20,24)(H,21,23).
What are the key properties of N-[(4-acetamidophenyl)methyl]-5-bromo-1H-indole-2-carboxamide?
N-[(4-acetamidophenyl)methyl]-5-bromo-1H-indole-2-carboxamide has a molecular weight of 386.25 g/mol, XLogP of 3.82, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-acetamidophenyl)methyl]-5-bromo-1H-indole-2-carboxamide is sourced from PubChem (CID 24678417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).