N-[3-[(4-bromophenyl)carbamoylamino]propyl]formamide

C11H14BrN3O2 — CID 108869282

IUPACN-[3-[(4-bromophenyl)carbamoylamino]propyl]formamide
SMILESO=CNCCCNC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C11H14BrN3O2/c12-9-2-4-10(5-3-9)15-11(17)14-7-1-6-13-8-16/h2-5,8H,1,6-7H2,(H,13,16)(H2,14,15,17)
InChIKeyUUMRBWTVAGTVKV-UHFFFAOYSA-N
MW300.16 g/mol
LogP1.71
Rot. Bonds6

About N-[3-[(4-bromophenyl)carbamoylamino]propyl]formamide

N-[3-[(4-bromophenyl)carbamoylamino]propyl]formamide (PubChem CID 108869282) has the molecular formula C11H14BrN3O2 and a molecular weight of 300.16 g/mol. Its IUPAC name is N-[3-[(4-bromophenyl)carbamoylamino]propyl]formamide.

Molecular Properties

Compound NameN-[3-[(4-bromophenyl)carbamoylamino]propyl]formamide
PubChem CID108869282
Molecular FormulaC11H14BrN3O2
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC NameN-[3-[(4-bromophenyl)carbamoylamino]propyl]formamide
SMILESO=CNCCCNC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C11H14BrN3O2/c12-9-2-4-10(5-3-9)15-11(17)14-7-1-6-13-8-16/h2-5,8H,1,6-7H2,(H,13,16)(H2,14,15,17)
InChIKeyUUMRBWTVAGTVKV-UHFFFAOYSA-N
XLogP1.71
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(3-bromophenyl)carbamoylamino]propyl]formamide
CID 108870174
N-[3-[(4-tert-butylphenyl)carbamoylamino]propyl]formamide
CID 108884840
N-[3-[(4-bromophenyl)methylcarbamoylamino]propyl]formamide
CID 108899505
7-[(4-bromophenyl)carbamoylamino]heptanoic acid
CID 61190824
1-(4-bromophenyl)-3-(4-piperidin-1-ylbutyl)urea
CID 46831360
1-(4-bromophenyl)-3-(4-morpholin-4-ylbutyl)urea
CID 46831361
1-(4-bromophenyl)-3-[3-(trifluoromethylsulfanyl)propyl]urea;hydrochloride
CID 173029098
methyl 3-[(4-bromophenyl)carbamoylamino]propanoate
CID 47361141
1-(4-ethenylphenyl)-3-[6-[(4-ethenylphenyl)carbamoylamino]hexyl]urea
CID 11704173
3-[(4-bromophenyl)carbamoylamino]-N-[2-(ethylamino)ethyl]propanamide
CID 119508627
1-(4-aminophenyl)-3-[2-(4-bromophenyl)ethyl]urea
CID 108897083
1-phenyl-3-[3-(prop-1-enylamino)propyl]urea
CID 70507693

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-bromophenyl)carbamoylamino]propyl]formamide?
The IUPAC name of N-[3-[(4-bromophenyl)carbamoylamino]propyl]formamide (CID 108869282) is N-[3-[(4-bromophenyl)carbamoylamino]propyl]formamide.
What is the SMILES notation for N-[3-[(4-bromophenyl)carbamoylamino]propyl]formamide?
The canonical SMILES for N-[3-[(4-bromophenyl)carbamoylamino]propyl]formamide is O=CNCCCNC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-[3-[(4-bromophenyl)carbamoylamino]propyl]formamide?
The InChIKey is UUMRBWTVAGTVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O2/c12-9-2-4-10(5-3-9)15-11(17)14-7-1-6-13-8-16/h2-5,8H,1,6-7H2,(H,13,16)(H2,14,15,17).
What are the key properties of N-[3-[(4-bromophenyl)carbamoylamino]propyl]formamide?
N-[3-[(4-bromophenyl)carbamoylamino]propyl]formamide has a molecular weight of 300.16 g/mol, XLogP of 1.71, 6 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]propyl]formamide is sourced from PubChem (CID 108869282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).