2-[(2-chloro-6-methylphenyl)carbamoylamino]-N-(cyclopropylmethyl)acetamide

C14H18ClN3O2 — CID 86795692

IUPAC2-[(2-chloro-6-methylphenyl)carbamoylamino]-N-(cyclopropylmethyl)acetamide
SMILESCc1cccc(Cl)c1NC(=O)NCC(=O)NCC1CC1
InChIInChI=1S/C14H18ClN3O2/c1-9-3-2-4-11(15)13(9)18-14(20)17-8-12(19)16-7-10-5-6-10/h2-4,10H,5-8H2,1H3,(H,16,19)(H2,17,18,20)
InChIKeySKGFWMLDVLVRGK-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.30
Rot. Bonds5

About 2-[(2-chloro-6-methylphenyl)carbamoylamino]-N-(cyclopropylmethyl)acetamide

2-[(2-chloro-6-methylphenyl)carbamoylamino]-N-(cyclopropylmethyl)acetamide (PubChem CID 86795692) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is 2-[(2-chloro-6-methylphenyl)carbamoylamino]-N-(cyclopropylmethyl)acetamide.

Molecular Properties

Compound Name2-[(2-chloro-6-methylphenyl)carbamoylamino]-N-(cyclopropylmethyl)acetamide
PubChem CID86795692
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name2-[(2-chloro-6-methylphenyl)carbamoylamino]-N-(cyclopropylmethyl)acetamide
SMILESCc1cccc(Cl)c1NC(=O)NCC(=O)NCC1CC1
InChIInChI=1S/C14H18ClN3O2/c1-9-3-2-4-11(15)13(9)18-14(20)17-8-12(19)16-7-10-5-6-10/h2-4,10H,5-8H2,1H3,(H,16,19)(H2,17,18,20)
InChIKeySKGFWMLDVLVRGK-UHFFFAOYSA-N
XLogP2.30
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-6-methylphenyl)-3-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)urea
CID 99836340
1-(cyclopropylmethyl)-3-(2-ethyl-6-methylphenyl)urea
CID 47031896
N-(cyclopropylmethyl)-2-[[4-(dimethylamino)-2,6-dimethylphenyl]carbamoylamino]acetamide
CID 75517626
2-[(2,6-dimethylphenyl)carbamoylamino]-N-ethylacetamide
CID 86987364
2-(azetidin-3-yl)-N-(2-chloro-6-methylphenyl)acetamide
CID 66254744
N-(2-chloro-6-methylphenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24832627
methyl N-[2-(2,6-dichloroanilino)-2-oxoethyl]carbamate
CID 113001448
CID 87634804
CID 87634804
4-[(2-chloro-6-methylphenyl)carbamoylamino]butanoic acid
CID 66252746
2-[2-[(2-chloro-6-methylphenyl)carbamoylamino]ethoxy]acetic acid
CID 79463759
1-(2-chloro-6-methylphenyl)-3-(N'-methoxycarbamimidoyl)urea;hydrochloride
CID 158055964
2-[(2,6-dichlorophenyl)carbamoylamino]acetic acid
CID 28508172

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-methylphenyl)carbamoylamino]-N-(cyclopropylmethyl)acetamide?
The IUPAC name of 2-[(2-chloro-6-methylphenyl)carbamoylamino]-N-(cyclopropylmethyl)acetamide (CID 86795692) is 2-[(2-chloro-6-methylphenyl)carbamoylamino]-N-(cyclopropylmethyl)acetamide.
What is the SMILES notation for 2-[(2-chloro-6-methylphenyl)carbamoylamino]-N-(cyclopropylmethyl)acetamide?
The canonical SMILES for 2-[(2-chloro-6-methylphenyl)carbamoylamino]-N-(cyclopropylmethyl)acetamide is Cc1cccc(Cl)c1NC(=O)NCC(=O)NCC1CC1.
What is the InChIKey of 2-[(2-chloro-6-methylphenyl)carbamoylamino]-N-(cyclopropylmethyl)acetamide?
The InChIKey is SKGFWMLDVLVRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c1-9-3-2-4-11(15)13(9)18-14(20)17-8-12(19)16-7-10-5-6-10/h2-4,10H,5-8H2,1H3,(H,16,19)(H2,17,18,20).
What are the key properties of 2-[(2-chloro-6-methylphenyl)carbamoylamino]-N-(cyclopropylmethyl)acetamide?
2-[(2-chloro-6-methylphenyl)carbamoylamino]-N-(cyclopropylmethyl)acetamide has a molecular weight of 295.77 g/mol, XLogP of 2.30, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-methylphenyl)carbamoylamino]-N-(cyclopropylmethyl)acetamide is sourced from PubChem (CID 86795692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).