N-[(4-bromophenyl)carbamoylamino]-N-[(1-methylcyclopentyl)carbamoyl]formamide

C15H19BrN4O3 — CID 138529899

IUPACN-[(4-bromophenyl)carbamoylamino]-N-[(1-methylcyclopentyl)carbamoyl]formamide
SMILESCC1(NC(=O)N(C=O)NC(=O)Nc2ccc(Br)cc2)CCCC1
InChIInChI=1S/C15H19BrN4O3/c1-15(8-2-3-9-15)18-14(23)20(10-21)19-13(22)17-12-6-4-11(16)5-7-12/h4-7,10H,2-3,8-9H2,1H3,(H,18,23)(H2,17,19,22)
InChIKeyDDBUZBBLTFXPOZ-UHFFFAOYSA-N
MW383.25 g/mol
LogP2.99
Rot. Bonds3

About N-[(4-bromophenyl)carbamoylamino]-N-[(1-methylcyclopentyl)carbamoyl]formamide

N-[(4-bromophenyl)carbamoylamino]-N-[(1-methylcyclopentyl)carbamoyl]formamide (PubChem CID 138529899) has the molecular formula C15H19BrN4O3 and a molecular weight of 383.25 g/mol. Its IUPAC name is N-[(4-bromophenyl)carbamoylamino]-N-[(1-methylcyclopentyl)carbamoyl]formamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)carbamoylamino]-N-[(1-methylcyclopentyl)carbamoyl]formamide
PubChem CID138529899
Molecular FormulaC15H19BrN4O3
Molecular Weight383.25 g/mol
Exact Mass382.06
IUPAC NameN-[(4-bromophenyl)carbamoylamino]-N-[(1-methylcyclopentyl)carbamoyl]formamide
SMILESCC1(NC(=O)N(C=O)NC(=O)Nc2ccc(Br)cc2)CCCC1
InChIInChI=1S/C15H19BrN4O3/c1-15(8-2-3-9-15)18-14(23)20(10-21)19-13(22)17-12-6-4-11(16)5-7-12/h4-7,10H,2-3,8-9H2,1H3,(H,18,23)(H2,17,19,22)
InChIKeyDDBUZBBLTFXPOZ-UHFFFAOYSA-N
XLogP2.99
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.25
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromophenyl)-3-(1-methylcyclohexyl)thiourea
CID 100765991
1-(4-bromophenyl)-3-propan-2-ylurea
CID 3403454
1-[(4-bromophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61190823
tert-butyl N-[3-[[[(4-bromophenyl)carbamoylamino]-formylcarbamoyl]amino]pentyl]carbamate
CID 123974388
2-[1-[(4-bromophenyl)carbamoylamino]cyclopentyl]acetic acid
CID 64702006
1-(4-bromophenyl)-3-[4-(dimethylamino)phenyl]urea
CID 100973286
1-(4-bromophenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea
CID 113215296
4-bromo-2-[(1-methylcyclopentyl)carbamoylamino]benzoic acid
CID 64686873
1-(1-methylcyclobutyl)-3-[4-(2-methylpyrimidin-4-yl)oxyphenyl]urea
CID 75432482
1-(4-bromophenyl)-3-[1-(dimethylamino)propan-2-yl]urea
CID 163286341
1-(aminomethyl)-N-(4-bromophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670345
2,4-dibromo-N-(1-methylcyclobutyl)benzamide
CID 103883316

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)carbamoylamino]-N-[(1-methylcyclopentyl)carbamoyl]formamide?
The IUPAC name of N-[(4-bromophenyl)carbamoylamino]-N-[(1-methylcyclopentyl)carbamoyl]formamide (CID 138529899) is N-[(4-bromophenyl)carbamoylamino]-N-[(1-methylcyclopentyl)carbamoyl]formamide.
What is the SMILES notation for N-[(4-bromophenyl)carbamoylamino]-N-[(1-methylcyclopentyl)carbamoyl]formamide?
The canonical SMILES for N-[(4-bromophenyl)carbamoylamino]-N-[(1-methylcyclopentyl)carbamoyl]formamide is CC1(NC(=O)N(C=O)NC(=O)Nc2ccc(Br)cc2)CCCC1.
What is the InChIKey of N-[(4-bromophenyl)carbamoylamino]-N-[(1-methylcyclopentyl)carbamoyl]formamide?
The InChIKey is DDBUZBBLTFXPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4O3/c1-15(8-2-3-9-15)18-14(23)20(10-21)19-13(22)17-12-6-4-11(16)5-7-12/h4-7,10H,2-3,8-9H2,1H3,(H,18,23)(H2,17,19,22).
What are the key properties of N-[(4-bromophenyl)carbamoylamino]-N-[(1-methylcyclopentyl)carbamoyl]formamide?
N-[(4-bromophenyl)carbamoylamino]-N-[(1-methylcyclopentyl)carbamoyl]formamide has a molecular weight of 383.25 g/mol, XLogP of 2.99, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)carbamoylamino]-N-[(1-methylcyclopentyl)carbamoyl]formamide is sourced from PubChem (CID 138529899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).