N-[3-[(4-bromophenyl)carbamoylamino]phenyl]acetamide

C15H14BrN3O2 — CID 6468047

IUPACN-[3-[(4-bromophenyl)carbamoylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C15H14BrN3O2/c1-10(20)17-13-3-2-4-14(9-13)19-15(21)18-12-7-5-11(16)6-8-12/h2-9H,1H3,(H,17,20)(H2,18,19,21)
InChIKeyOELGWOCVNUFINV-UHFFFAOYSA-N
MW348.20 g/mol
LogP4.05
Rot. Bonds3

About N-[3-[(4-bromophenyl)carbamoylamino]phenyl]acetamide

N-[3-[(4-bromophenyl)carbamoylamino]phenyl]acetamide (PubChem CID 6468047) has the molecular formula C15H14BrN3O2 and a molecular weight of 348.20 g/mol. Its IUPAC name is N-[3-[(4-bromophenyl)carbamoylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(4-bromophenyl)carbamoylamino]phenyl]acetamide
PubChem CID6468047
Molecular FormulaC15H14BrN3O2
Molecular Weight348.20 g/mol
Exact Mass347.03
IUPAC NameN-[3-[(4-bromophenyl)carbamoylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C15H14BrN3O2/c1-10(20)17-13-3-2-4-14(9-13)19-15(21)18-12-7-5-11(16)6-8-12/h2-9H,1H3,(H,17,20)(H2,18,19,21)
InChIKeyOELGWOCVNUFINV-UHFFFAOYSA-N
XLogP4.05
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(3-acetamidophenyl)-N-(4-bromophenyl)propanediamide
CID 108955491
N-[4-[(3-hydroxyphenyl)carbamoylamino]phenyl]acetamide
CID 108895676
N-[3-[(4-cyanophenyl)carbamoylamino]phenyl]acetamide
CID 108884114
3-[(4-bromophenyl)carbamoylamino]benzenesulfonic acid
CID 108869199
N-[3-[(4-bromo-2-pyridinyl)carbamoylamino]phenyl]acetamide
CID 108884266
N-[3-(hydrazinecarbonylamino)phenyl]acetamide
CID 82283644
1-(4-bromo-3-methylphenyl)-3-[3-[(4-bromo-3-methylphenyl)carbamoylamino]phenyl]urea
CID 139171111
1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 12560219
N-[3-[(3-methoxyphenyl)carbamoylamino]phenyl]acetamide
CID 6467465
N-[3-[[3-(dimethylamino)phenyl]carbamoylamino]phenyl]acetamide
CID 108884172
1-[3-[(4-bromophenyl)sulfonylamino]phenyl]-3-phenylurea
CID 24622040
1-(4-bromophenyl)-3-pyridin-4-ylurea
CID 677050

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-bromophenyl)carbamoylamino]phenyl]acetamide?
The IUPAC name of N-[3-[(4-bromophenyl)carbamoylamino]phenyl]acetamide (CID 6468047) is N-[3-[(4-bromophenyl)carbamoylamino]phenyl]acetamide.
What is the SMILES notation for N-[3-[(4-bromophenyl)carbamoylamino]phenyl]acetamide?
The canonical SMILES for N-[3-[(4-bromophenyl)carbamoylamino]phenyl]acetamide is CC(=O)Nc1cccc(NC(=O)Nc2ccc(Br)cc2)c1.
What is the InChIKey of N-[3-[(4-bromophenyl)carbamoylamino]phenyl]acetamide?
The InChIKey is OELGWOCVNUFINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O2/c1-10(20)17-13-3-2-4-14(9-13)19-15(21)18-12-7-5-11(16)6-8-12/h2-9H,1H3,(H,17,20)(H2,18,19,21).
What are the key properties of N-[3-[(4-bromophenyl)carbamoylamino]phenyl]acetamide?
N-[3-[(4-bromophenyl)carbamoylamino]phenyl]acetamide has a molecular weight of 348.20 g/mol, XLogP of 4.05, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-bromophenyl)carbamoylamino]phenyl]acetamide is sourced from PubChem (CID 6468047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).