2-chloro-N-[(2,4-dibromophenyl)carbamoyl]acetamide

C9H7Br2ClN2O2 — CID 61475658

IUPAC2-chloro-N-[(2,4-dibromophenyl)carbamoyl]acetamide
SMILESO=C(CCl)NC(=O)Nc1ccc(Br)cc1Br
InChIInChI=1S/C9H7Br2ClN2O2/c10-5-1-2-7(6(11)3-5)13-9(16)14-8(15)4-12/h1-3H,4H2,(H2,13,14,15,16)
InChIKeyNJEWHWJBZIWAIC-UHFFFAOYSA-N
MW370.43 g/mol
LogP3.10
Rot. Bonds2

About 2-chloro-N-[(2,4-dibromophenyl)carbamoyl]acetamide

2-chloro-N-[(2,4-dibromophenyl)carbamoyl]acetamide (PubChem CID 61475658) has the molecular formula C9H7Br2ClN2O2 and a molecular weight of 370.43 g/mol. Its IUPAC name is 2-chloro-N-[(2,4-dibromophenyl)carbamoyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(2,4-dibromophenyl)carbamoyl]acetamide
PubChem CID61475658
Molecular FormulaC9H7Br2ClN2O2
Molecular Weight370.43 g/mol
Exact Mass367.86
IUPAC Name2-chloro-N-[(2,4-dibromophenyl)carbamoyl]acetamide
SMILESO=C(CCl)NC(=O)Nc1ccc(Br)cc1Br
InChIInChI=1S/C9H7Br2ClN2O2/c10-5-1-2-7(6(11)3-5)13-9(16)14-8(15)4-12/h1-3H,4H2,(H2,13,14,15,16)
InChIKeyNJEWHWJBZIWAIC-UHFFFAOYSA-N
XLogP3.10
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[(2,5-dibromophenyl)carbamoyl]acetamide
CID 61468365
N-[(4-bromophenyl)carbamoyl]-2-chloroacetamide
CID 4962265
(E)-4-[(2,4-dibromophenyl)carbamoylamino]-4-oxobut-2-enoic acid
CID 109374331
1-(2,4-dibromophenyl)-3-ethylurea
CID 102364568
3-[(2,4-dibromophenyl)carbamoylamino]propanoic acid
CID 54954210
N-[(4-bromo-2,5-difluorophenyl)carbamoyl]-2-chloroacetamide
CID 107614820
2-chloro-N-(2,5-dibromophenyl)acetamide
CID 3433301
3-(2,4-dibromoanilino)-3-oxopropanoic acid
CID 62230789
N-(2-amino-4-bromophenyl)-2-chloroacetamide
CID 66911433
2-chloro-N-[(2,4,5-trichlorophenyl)carbamoyl]acetamide
CID 43146050
1-(2,4-dibromophenyl)-3-[(2S)-2-hydroxypropyl]urea
CID 51944658
5-bromo-2-[(2-chloroacetyl)amino]benzamide
CID 12031979

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2,4-dibromophenyl)carbamoyl]acetamide?
The IUPAC name of 2-chloro-N-[(2,4-dibromophenyl)carbamoyl]acetamide (CID 61475658) is 2-chloro-N-[(2,4-dibromophenyl)carbamoyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(2,4-dibromophenyl)carbamoyl]acetamide?
The canonical SMILES for 2-chloro-N-[(2,4-dibromophenyl)carbamoyl]acetamide is O=C(CCl)NC(=O)Nc1ccc(Br)cc1Br.
What is the InChIKey of 2-chloro-N-[(2,4-dibromophenyl)carbamoyl]acetamide?
The InChIKey is NJEWHWJBZIWAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Br2ClN2O2/c10-5-1-2-7(6(11)3-5)13-9(16)14-8(15)4-12/h1-3H,4H2,(H2,13,14,15,16).
What are the key properties of 2-chloro-N-[(2,4-dibromophenyl)carbamoyl]acetamide?
2-chloro-N-[(2,4-dibromophenyl)carbamoyl]acetamide has a molecular weight of 370.43 g/mol, XLogP of 3.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2,4-dibromophenyl)carbamoyl]acetamide is sourced from PubChem (CID 61475658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).