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

C11H14BrN3O2 — CID 108870174

IUPACN-[3-[(3-bromophenyl)carbamoylamino]propyl]formamide
SMILESO=CNCCCNC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C11H14BrN3O2/c12-9-3-1-4-10(7-9)15-11(17)14-6-2-5-13-8-16/h1,3-4,7-8H,2,5-6H2,(H,13,16)(H2,14,15,17)
InChIKeyURBBOJFYQIPABV-UHFFFAOYSA-N
MW300.16 g/mol
LogP1.71
Rot. Bonds6

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

N-[3-[(3-bromophenyl)carbamoylamino]propyl]formamide (PubChem CID 108870174) has the molecular formula C11H14BrN3O2 and a molecular weight of 300.16 g/mol. Its IUPAC name is N-[3-[(3-bromophenyl)carbamoylamino]propyl]formamide.

Molecular Properties

Compound NameN-[3-[(3-bromophenyl)carbamoylamino]propyl]formamide
PubChem CID108870174
Molecular FormulaC11H14BrN3O2
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC NameN-[3-[(3-bromophenyl)carbamoylamino]propyl]formamide
SMILESO=CNCCCNC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C11H14BrN3O2/c12-9-3-1-4-10(7-9)15-11(17)14-6-2-5-13-8-16/h1,3-4,7-8H,2,5-6H2,(H,13,16)(H2,14,15,17)
InChIKeyURBBOJFYQIPABV-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-[(4-bromophenyl)carbamoylamino]propyl]formamide
CID 108869282
1-(3-bromophenyl)-3-(3-oxobutyl)urea
CID 108895170
1-(3-bromophenyl)-3-(3-hydroxybutyl)urea
CID 111336733
1-(3-bromophenyl)-3-[3-(N-methylanilino)propyl]urea
CID 52543075
(2S)-4-[(3-bromophenyl)carbamoylamino]-2-hydroxybutanoic acid
CID 107838138
1-(3-hydroxyphenyl)-3-[6-[(3-hydroxyphenyl)carbamoylamino]hexyl]urea
CID 71353515
methyl 2-[(3-bromophenyl)carbamoylamino]acetate
CID 108870222
N-[3-[(4-bromophenyl)methylcarbamoylamino]propyl]formamide
CID 108899505
2-[(3-bromophenyl)carbamoylamino]-N-methylacetamide
CID 47031802
N'-(3-bromophenyl)-N-(3-hydroxypropyl)oxamide
CID 568365
1-(3-bromophenyl)-3-[[4-(hydroxymethyl)phenyl]methyl]urea
CID 108870224
5-[(3-formylphenyl)carbamoylamino]pentanoic acid
CID 59745112

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-bromophenyl)carbamoylamino]propyl]formamide?
The IUPAC name of N-[3-[(3-bromophenyl)carbamoylamino]propyl]formamide (CID 108870174) is N-[3-[(3-bromophenyl)carbamoylamino]propyl]formamide.
What is the SMILES notation for N-[3-[(3-bromophenyl)carbamoylamino]propyl]formamide?
The canonical SMILES for N-[3-[(3-bromophenyl)carbamoylamino]propyl]formamide is O=CNCCCNC(=O)Nc1cccc(Br)c1.
What is the InChIKey of N-[3-[(3-bromophenyl)carbamoylamino]propyl]formamide?
The InChIKey is URBBOJFYQIPABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O2/c12-9-3-1-4-10(7-9)15-11(17)14-6-2-5-13-8-16/h1,3-4,7-8H,2,5-6H2,(H,13,16)(H2,14,15,17).
What are the key properties of N-[3-[(3-bromophenyl)carbamoylamino]propyl]formamide?
N-[3-[(3-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-[(3-bromophenyl)carbamoylamino]propyl]formamide is sourced from PubChem (CID 108870174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).