2-[(2-chloro-3-fluorophenyl)methylamino]ethylurea

C10H13ClFN3O — CID 112652234

IUPAC2-[(2-chloro-3-fluorophenyl)methylamino]ethylurea
SMILESNC(=O)NCCNCc1cccc(F)c1Cl
InChIInChI=1S/C10H13ClFN3O/c11-9-7(2-1-3-8(9)12)6-14-4-5-15-10(13)16/h1-3,14H,4-6H2,(H3,13,15,16)
InChIKeyNFVAEZDQHQDVDR-UHFFFAOYSA-N
MW245.68 g/mol
LogP1.24
Rot. Bonds5

About 2-[(2-chloro-3-fluorophenyl)methylamino]ethylurea

2-[(2-chloro-3-fluorophenyl)methylamino]ethylurea (PubChem CID 112652234) has the molecular formula C10H13ClFN3O and a molecular weight of 245.68 g/mol. Its IUPAC name is 2-[(2-chloro-3-fluorophenyl)methylamino]ethylurea.

Molecular Properties

Compound Name2-[(2-chloro-3-fluorophenyl)methylamino]ethylurea
PubChem CID112652234
Molecular FormulaC10H13ClFN3O
Molecular Weight245.68 g/mol
Exact Mass245.07
IUPAC Name2-[(2-chloro-3-fluorophenyl)methylamino]ethylurea
SMILESNC(=O)NCCNCc1cccc(F)c1Cl
InChIInChI=1S/C10H13ClFN3O/c11-9-7(2-1-3-8(9)12)6-14-4-5-15-10(13)16/h1-3,14H,4-6H2,(H3,13,15,16)
InChIKeyNFVAEZDQHQDVDR-UHFFFAOYSA-N
XLogP1.24
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.68
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-chloro-3-fluorophenyl)methylamino]propanoic acid
CID 112652700
2-[(2,5-difluorophenyl)methylamino]ethylurea
CID 83111439
tert-butyl N-[(2-chloro-3-fluorophenyl)methyl]carbamate
CID 137347631
6-chloro-N-[(2-chloro-3-fluorophenyl)methyl]hexan-1-amine
CID 107845726
6-[(2-chloro-3-fluorophenyl)methylamino]-4-methylhexanoic acid
CID 112652751
(2-chloro-3-fluorophenyl)methylhydrazine
CID 81453607
N-[2-[(3-fluoro-2-hydroxyphenyl)methylamino]ethyl]-2-methylpropanamide
CID 112606293
N-[2-[(3-fluoro-2-hydroxyphenyl)methylamino]ethyl]acetamide
CID 112606322
N-[(2-chloro-3-fluorophenyl)methyl]-3-phenylpropan-1-amine
CID 112651869
methyl 2-[2-[[2-(carbamoylamino)ethylamino]methyl]phenyl]acetate
CID 83113830
N-[(2-chloro-3-fluorophenyl)methyl]-2-(2-methylphenyl)ethanamine
CID 112652160
2-[(2-methoxyphenyl)methylamino]ethylurea
CID 83109260

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-3-fluorophenyl)methylamino]ethylurea?
The IUPAC name of 2-[(2-chloro-3-fluorophenyl)methylamino]ethylurea (CID 112652234) is 2-[(2-chloro-3-fluorophenyl)methylamino]ethylurea.
What is the SMILES notation for 2-[(2-chloro-3-fluorophenyl)methylamino]ethylurea?
The canonical SMILES for 2-[(2-chloro-3-fluorophenyl)methylamino]ethylurea is NC(=O)NCCNCc1cccc(F)c1Cl.
What is the InChIKey of 2-[(2-chloro-3-fluorophenyl)methylamino]ethylurea?
The InChIKey is NFVAEZDQHQDVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFN3O/c11-9-7(2-1-3-8(9)12)6-14-4-5-15-10(13)16/h1-3,14H,4-6H2,(H3,13,15,16).
What are the key properties of 2-[(2-chloro-3-fluorophenyl)methylamino]ethylurea?
2-[(2-chloro-3-fluorophenyl)methylamino]ethylurea has a molecular weight of 245.68 g/mol, XLogP of 1.24, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-3-fluorophenyl)methylamino]ethylurea is sourced from PubChem (CID 112652234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).