N-(2-bromophenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide

C19H20BrN3O2 — CID 54834057

IUPACN-(2-bromophenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
SMILESO=C(CNc1ccc(C(=O)N2CCCC2)cc1)Nc1ccccc1Br
InChIInChI=1S/C19H20BrN3O2/c20-16-5-1-2-6-17(16)22-18(24)13-21-15-9-7-14(8-10-15)19(25)23-11-3-4-12-23/h1-2,5-10,21H,3-4,11-13H2,(H,22,24)
InChIKeyAIVRWVBUJJAZBH-UHFFFAOYSA-N
MW402.29 g/mol
LogP3.74
Rot. Bonds5

About N-(2-bromophenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide

N-(2-bromophenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide (PubChem CID 54834057) has the molecular formula C19H20BrN3O2 and a molecular weight of 402.29 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
PubChem CID54834057
Molecular FormulaC19H20BrN3O2
Molecular Weight402.29 g/mol
Exact Mass401.07
IUPAC NameN-(2-bromophenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
SMILESO=C(CNc1ccc(C(=O)N2CCCC2)cc1)Nc1ccccc1Br
InChIInChI=1S/C19H20BrN3O2/c20-16-5-1-2-6-17(16)22-18(24)13-21-15-9-7-14(8-10-15)19(25)23-11-3-4-12-23/h1-2,5-10,21H,3-4,11-13H2,(H,22,24)
InChIKeyAIVRWVBUJJAZBH-UHFFFAOYSA-N
XLogP3.74
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.29
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-naphthalen-1-yl-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54835242
N-(2-bromophenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 109010455
2-anilino-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119702402
N-(2-bromophenyl)-2-[4-(2,6-dimethylmorpholine-4-carbonyl)anilino]acetamide
CID 60538677
2-[4-(azepane-1-carbonyl)anilino]-N-(4-bromophenyl)acetamide
CID 54834872
N-(2,3-dimethylphenyl)-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841651
N-[2-methyl-3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide
CID 54833905
2-[4-(azepane-1-carbonyl)anilino]-N-(2,3-dichlorophenyl)acetamide
CID 54834934
N-[3-[[2-[4-(azepane-1-carbonyl)anilino]acetyl]amino]-2-methylphenyl]propanamide
CID 54834973
N-(2-propan-2-yloxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54834093
2-[4-(azepane-1-carbonyl)anilino]-N-(2-ethoxyphenyl)acetamide
CID 54835054
2-[4-(azepane-1-carbonyl)anilino]-N-(2-phenylmethoxyphenyl)acetamide
CID 54834877

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide?
The IUPAC name of N-(2-bromophenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide (CID 54834057) is N-(2-bromophenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide is O=C(CNc1ccc(C(=O)N2CCCC2)cc1)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide?
The InChIKey is AIVRWVBUJJAZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN3O2/c20-16-5-1-2-6-17(16)22-18(24)13-21-15-9-7-14(8-10-15)19(25)23-11-3-4-12-23/h1-2,5-10,21H,3-4,11-13H2,(H,22,24).
What are the key properties of N-(2-bromophenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide?
N-(2-bromophenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide has a molecular weight of 402.29 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide is sourced from PubChem (CID 54834057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).