N-[3-[(4-bromo-2-pyridinyl)carbamoylamino]phenyl]acetamide

C14H13BrN4O2 — CID 108884266

IUPACN-[3-[(4-bromo-2-pyridinyl)carbamoylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)Nc2cc(Br)ccn2)c1
InChIInChI=1S/C14H13BrN4O2/c1-9(20)17-11-3-2-4-12(8-11)18-14(21)19-13-7-10(15)5-6-16-13/h2-8H,1H3,(H,17,20)(H2,16,18,19,21)
InChIKeyHXGDQISFPVZLQR-UHFFFAOYSA-N
MW349.19 g/mol
LogP3.45
Rot. Bonds3

About N-[3-[(4-bromo-2-pyridinyl)carbamoylamino]phenyl]acetamide

N-[3-[(4-bromo-2-pyridinyl)carbamoylamino]phenyl]acetamide (PubChem CID 108884266) has the molecular formula C14H13BrN4O2 and a molecular weight of 349.19 g/mol. Its IUPAC name is N-[3-[(4-bromo-2-pyridinyl)carbamoylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(4-bromo-2-pyridinyl)carbamoylamino]phenyl]acetamide
PubChem CID108884266
Molecular FormulaC14H13BrN4O2
Molecular Weight349.19 g/mol
Exact Mass348.02
IUPAC NameN-[3-[(4-bromo-2-pyridinyl)carbamoylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)Nc2cc(Br)ccn2)c1
InChIInChI=1S/C14H13BrN4O2/c1-9(20)17-11-3-2-4-12(8-11)18-14(21)19-13-7-10(15)5-6-16-13/h2-8H,1H3,(H,17,20)(H2,16,18,19,21)
InChIKeyHXGDQISFPVZLQR-UHFFFAOYSA-N
XLogP3.45
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.19
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-2-pyridinyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 102820650
1-(4-bromo-2-pyridinyl)-3-(3,4-dimethoxyphenyl)urea
CID 108866306
N-[3-[(4-bromophenyl)carbamoylamino]phenyl]acetamide
CID 6468047
1-(4-bromo-2-pyridinyl)-3-(2,6-dimethoxyphenyl)urea
CID 108868113
1-(3-bromophenyl)-3-pyrazin-2-ylurea
CID 110492436
1-[(4-bromo-2-pyridinyl)amino]-3-phenylurea
CID 170994303
1-(4-bromo-2-pyridinyl)-3-(furan-2-yl)urea
CID 108868659
1-(4-bromo-2-pyridinyl)-3-(2-methoxyphenyl)urea
CID 108866585
1-(4-bromo-2-pyridinyl)-3-propylurea
CID 102820656
N-[3-[[4-(3-bromoanilino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 23536377
N-(3-acetamidophenyl)-2-bromopyridine-4-carboxamide
CID 71854176
1-(4-bromo-2-pyridinyl)-3-[(2-ethoxyphenoxy)methyl]urea
CID 108877451

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-bromo-2-pyridinyl)carbamoylamino]phenyl]acetamide?
The IUPAC name of N-[3-[(4-bromo-2-pyridinyl)carbamoylamino]phenyl]acetamide (CID 108884266) is N-[3-[(4-bromo-2-pyridinyl)carbamoylamino]phenyl]acetamide.
What is the SMILES notation for N-[3-[(4-bromo-2-pyridinyl)carbamoylamino]phenyl]acetamide?
The canonical SMILES for N-[3-[(4-bromo-2-pyridinyl)carbamoylamino]phenyl]acetamide is CC(=O)Nc1cccc(NC(=O)Nc2cc(Br)ccn2)c1.
What is the InChIKey of N-[3-[(4-bromo-2-pyridinyl)carbamoylamino]phenyl]acetamide?
The InChIKey is HXGDQISFPVZLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4O2/c1-9(20)17-11-3-2-4-12(8-11)18-14(21)19-13-7-10(15)5-6-16-13/h2-8H,1H3,(H,17,20)(H2,16,18,19,21).
What are the key properties of N-[3-[(4-bromo-2-pyridinyl)carbamoylamino]phenyl]acetamide?
N-[3-[(4-bromo-2-pyridinyl)carbamoylamino]phenyl]acetamide has a molecular weight of 349.19 g/mol, XLogP of 3.45, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-bromo-2-pyridinyl)carbamoylamino]phenyl]acetamide is sourced from PubChem (CID 108884266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).